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Fluconazole

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Identification
Molecular formula
C13H12F2N6O
CAS number
86386-73-4
IUPAC name
2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
State
State

At room temperature, fluconazole is present in solid form as a powder or crystalline solid.

Melting point (Celsius)
139.00
Melting point (Kelvin)
412.15
Boiling point (Celsius)
307.00
Boiling point (Kelvin)
580.15
General information
Molecular weight
306.27g/mol
Molar mass
306.2680g/mol
Density
1.5040g/cm3
Appearence

Fluconazole is a white crystalline solid. It is odorless and appears as a powder, which is poorly water-soluble in water but dissolves in methanol and other organic solvents.

Comment on solubility

Solubility of 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol

The solubility of 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol (C13H12F2N6O) is an intriguing aspect of its chemical behavior, especially given its complex structure. Analyzing the solubility characteristics of such compounds can be quite informative, as it often reflects key interactions in various solvents.

Solubility Factors

Understanding the solubility of this compound involves considering several factors, including:

  • Polarity: The presence of the hydroxyl group (-OH) contributes to the overall polarity of the molecule, enhancing its potential solubility in polar solvents such as water.
  • Hydrogen Bonding: The ability to form hydrogen bonds, which is characteristic of compounds containing -OH groups, can improve solubility in polar environments.
  • Size and Structure: The bulky 2,4-difluorophenyl and triazole components may hinder solubility in certain organic solvents, leading to varied solubility characteristics depending on the solvent used.

Predicted Solubility

Based on its chemical structure, one might expect the following general solubility behavior:

  • In polar solvents: Likely soluble due to the ability to engage in hydrogen bonding.
  • In non-polar solvents: Expected to have lower solubility as the hydrophobic character of the aromatic and aliphatic components may be dominant.
  • In aqueous solutions: Moderate solubility is anticipated, with intermolecular interactions playing a critical role.

In conclusion, the solubility profile of 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol is influenced by both its functional groups and overall molecular architecture. As with many organic compounds, exploring various solvent systems is vital to fully appreciate its solubility behavior.

Interesting facts

Interesting Facts About 2-(2,4-Difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol

This compound exhibits remarkable features that make it a point of interest in the realm of chemical research, particularly for its potential applications in medicinal chemistry.

Key Characteristics:

  • Fluorinated Aromatic System: The presence of fluorine atoms in the structure contributes to enhanced lipophilicity, which can improve the compound's bioavailability.
  • Triazole Moiety: The 1,2,4-triazole groups are known for their ability to form strong hydrogen bonds, offering potential utility in both pharmaceutical and agricultural settings.
  • Potential Biological Activity: Compounds with triazole backbones have been investigated for their antifungal, antibacterial, and anticancer properties, suggesting that this compound may warrant further examination in drug development.

Chemical Significance:

This composition underscores the importance of structure-activity relationships in drug design. The combination of a phenyl ring with halogen substitutions and a triazole scaffold can lead to versatile pharmacophores.

Quote from the Field:

As a prominent chemist once stated, “The *beauty of chemistry* lies in the infinite possibilities chemical structures provide for innovation and discovery.”

In summary, 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol is a compound with intriguing properties and potential implications in various fields, including medicinal chemistry and agricultural science. Its unique attributes open doors for further research and exploration.

Synonyms
fluconazole
86386-73-4
Diflucan
Triflucan
Biozolene
Fluconazol
Elazor
Biocanol
Zoltec
Fluconazolum
Flucazol
Flucostat
Fungata
difluconazole
Flukezol
Flunizol
Pritenzol
Alflucoz
Cryptal
Dimycon
Oxifugol
Baten
Canzol
Forcan
Mutum
Syscan
Zemyc
2-(2,4-Difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol
2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL
UK 49858
Flunazol
UK-49858
Alkanazole
Triconal
Fluconazolum [Latin]
2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
DRG-0005
Fluconazoli
CCRIS 7211
HSDB 7420
DIFLUCAN IN SODIUM CHLORIDE 0.9%
UNII-8VZV102JFY
1H-1,2,4-Triazole-1-ethanol, alpha-(2,4-difluorophenyl)-alpha-(1H-1,2,4-triazol-1-ylmethyl)-
123631-92-5
8VZV102JFY
Fluconazole in sodium chloride 0.9%
MFCD00274549
NSC-758661
Fluconazole [USAN]
DTXSID3020627
CHEBI:46081
DIFLUCAN IN DEXTROSE 5% IN PLASTIC CONTAINER
UK-49,858
BAYT006267
BAYT-006267
Fluconazole in dextrose 5% in plastic container
Zonal
CHEMBL106
2-(2,4-Difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)-2-propanol
2-(2,4-Difluorophenyl)-1,3-di-1H-1,2,4-triazol-1-ylpropan-2-ol
2,4-Difluoro-alpha,alpha-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol
DTXCID10627
Fluconazole in sodium chloride 0.9% in plastic container
DIFLUCAN IN SODIUM CHLORIDE 0.9% IN PLASTIC CONTAINER
Fluzon (Antifungal)
Fluzon [Antifungal]
alpha-(2,4-Difluorophenyl)-alpha-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol
Fluconazolum (Latin)
NSC 758661
Fluconazole [USAN:USP:INN:BAN:JAN]
NCGC00095089-01
Fluconazol [Spanish]
Loitin
2-(2,4-Difluoro-phenyl)-1,3-bis-[1,2,4]triazol-1-yl-propan-2-ol
FLUCONAZOLE (MART.)
FLUCONAZOLE [MART.]
C13H12F2N6O
FLUCONAZOLE (USP-RS)
FLUCONAZOLE [USP-RS]
FLC
Diflazon
FLUCONAZOLE (EP MONOGRAPH)
FLUCONAZOLE [EP MONOGRAPH]
Fuconal
Trican
FLUCONAZOLE (USP MONOGRAPH)
FLUCONAZOLE [USP MONOGRAPH]
2-(2,4-DIFLUORFENYL)-1,3-BIS(1H-1,2,4-TRIAZOOL-1-YL)PROPAAN-2-OL
Fluconazole (USAN:USP:INN:BAN:JAN)
Diflucan (TN)
1H-1,2,4-Triazole-1-ethanol, .alpha.-(2,4-difluorophenyl)-.alpha.-(1H-1,2,4-triazol-1-ylmethyl)-
SMR000471882
CAS-86386-73-4
FLCZ
Fluconazole & hGCSF
Flucytosine & Nyotran
SR-01000765440
XMP.284 & Fluconazole
XMP.366 & Fluconazole
XMP.391 & Fluconazole
fluconazolo
Biozole
Flucoral
GL663142 & Fluconazole
Fluconazole & Bovine Lactoferrin
Fluconazole & MC-510,011
Fluconazole (f)
Fluconazole,(S)
Expel-F
KS-1059
AF01 - Antifungals
Fluconazole (Standard)
Fluconazole in combination with MGCD290
Spectrum_001654
Flucytosine & Nyotran(Liposomal Nystatin)
FLUCONAZOLE [MI]
Spectrum2_001607
Spectrum3_001912
Spectrum4_000090
Spectrum5_001277
FLUCONAZOLE [INN]
FLUCONAZOLE [JAN]
F0677
FLUCONAZOLE [HSDB]
MGCD290 and Fluconazole
FLUCONAZOLE [VANDF]
cid_3365
MG-3290 and Fluconazole
SCHEMBL3151
Fluconazole, Sodium Chloride
BSPBio_003504
FLUCONAZOLE [WHO-DD]
FLUCONAZOLE [WHO-IP]
KBioGR_000360
KBioSS_002134
MLS001066394
MLS001165780
MLS001195645
MLS001304713
MLS001306492
MLS006011884
BIDD:GT0799
DivK1c_001030
SPECTRUM1503975
Fluconazole in Sodium Chloride
SPBio_001613
Fluconazole (JP17/USP/INN)
Fluconazole - Bio-X trade mark
BDBM25817
HMS503M21
HY-B0101R
KBio1_001030
KBio2_002134
KBio2_004702
KBio2_007270
KBio3_003009
D01AC15
FLUCONAZOLE [ORANGE BOOK]
J02AC01
NINDS_001030
HMS1922O10
HMS2090I20
HMS2093M21
HMS2230O22
HMS3259H13
HMS3373I19
HMS3654P15
HMS3715F21
HMS3748G19
Pharmakon1600-01503975
FLUCONAZOLI [WHO-IP LATIN]
BCP28522
Fluconazole 2.0 mg/ml in Methanol
HY-B0101
MSK10047
1,2,4-triazol-1-yl)propan-2-ol
Tox21_111419
Tox21_202240
Tox21_300581
AC-428
BBL005614
CCG-39065
DL-407
Fluconazole & Human recombinant granulocyte colony stimulating factor
NSC754343
NSC758661
s1331
STK619301
AKOS000280854
Tox21_111419_1
CS-1835
DB00196
FD23320
Fluconazole, >=98% (HPLC), powder
NC00650
NSC-754343
IDI1_001030
NCGC00095089-02
NCGC00095089-04
NCGC00095089-05
NCGC00095089-06
NCGC00095089-07
NCGC00095089-08
NCGC00095089-09
NCGC00095089-10
NCGC00095089-11
NCGC00254412-01
NCGC00259789-01
2-(2,4-difluorophenyl)-1,3-di(1H-
BF164466
Fluconazole 100 microg/mL in Acetonitrile
SBI-0051880.P002
UK-049858
NS00000281
SW199616-2
EN300-53634
C07002
D00322
AB00052399-07
AB00052399-08
AB00052399_09
AB00052399_10
A841625
Q411478
SR-01000765440-2
SR-01000765440-4
SR-01000765440-8
UK-49858;UK 49858;UK49858
BRD-K05977355-001-02-6
BRD-K05977355-001-09-1
BRD-K05977355-001-18-2
BRD-K05977355-001-19-0
BRD-K05977355-001-23-2
F2173-0496
Z235354561
Fluconazole, European Pharmacopoeia (EP) Reference Standard
2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)-2-propanol
Fluconazole, United States Pharmacopeia (USP) Reference Standard
2-[2,4-bis(fluoranyl)phenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
Fluconazole, Pharmaceutical Secondary Standard; Certified Reference Material
2,4-DIFLUORO-1',1'-BIS(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZYL ALCOHOL
a-(2,4-Difluorophenyl)-a-(1H-1,2,4-triazol-1- ylmethyl)-1H-1,2,4-triazole-1-ethanol
Fluconazole for peak identification, European Pharmacopoeia (EP) Reference Standard
.alpha.-(2,4-Difluorophenyl)-.alpha.-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol
?-(2,4-Difluorophenyl)-?-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol;1-(2,4-Difluorophenyl)-1,1-bis[(1H-1,2,4- triazol -1-yl)methyl]methanol;Biozolene
1H-1,2,4-TRIAZOLE-1-ETHANOL, 1-(2,4-DIFLUOROPHENYL)-1-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-
alpha-(2,4-Difluorophenyl)-alpha-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol;1-(2,4-Difluorophenyl)-1,1-bis[(1H-1,2,4- triazol-1-yl)methyl]methanol;Biozolene