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Fluconazole

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Identification
Molecular formula
C16H12F4N2
CAS number
86386-73-4
IUPAC name
2-[[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylene]amino]guanidine
State
State

At room temperature, the compound is typically a crystalline solid. This solid state is stable and non-volatile, which makes it practical for handling and use in various applications.

Melting point (Celsius)
138.50
Melting point (Kelvin)
411.65
Boiling point (Celsius)
482.70
Boiling point (Kelvin)
755.85
General information
Molecular weight
306.22g/mol
Molar mass
306.2240g/mol
Density
1.4208g/cm3
Appearence

The compound generally appears as a white to off-white crystalline powder, which is characteristic of many small organic molecules. Due to its structure, it may have a slight aromatic odor but is typically not significant enough to be noteworthy.

Comment on solubility

Solubility of 2-[[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylene]amino]guanidine

The solubility of the compound 2-[[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylene]amino]guanidine can be described as follows:

  • Polarity: The presence of both fluorine and aromatic rings in the structure indicates a level of non-polarity, which may affect its interaction with polar solvents.
  • Solvent Compatibility: This compound may have limited solubility in common polar solvents like water due to its bulky and hydrophobic aromatic components.
  • Solvation Effects: Hydrogen bonding potentially facilitates some solubility if dissolved in less polar solvents or organic solvents such as ethanol or dimethyl sulfoxide (DMSO).

In summary, while 2-[[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylene]amino]guanidine may demonstrate solubility in select organic solvents, its overall hydrophobic nature poses challenges in attaining high solubility in aqueous environments. This dual behavior underscores the importance of considering solvent choice in dissolution studies.

Interesting facts

Exploring 2-[[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylene]amino]guanidine

This compound is an intriguing example of how subtle changes in molecular structure can lead to significant biological properties. Often utilized in the field of medicinal chemistry, this molecule exhibits unique characteristics that are highly sought after in drug development.

Key Features:

  • Fluorination: The presence of fluorine atoms in the structure offers enhanced lipophilicity and metabolic stability, elements crucial for the efficacy of pharmaceutical agents.
  • Bioactivity: Compounds with guanidine moieties often display significant biological activity, particularly in areas such as anti-inflammatory and antitumor effects.
  • Structure-Activity Relationship (SAR): Understanding how variations in the phenyl rings (like introducing a trifluoromethyl group) affect the compound’s activity can lead to discovering new therapeutic targets.

As researchers continue to explore the therapeutic potentials of such compounds, the interplay between their chemical structures and their biological effects becomes increasingly fascinating. This particular compound could be a key player in innovative treatments, making it an exciting subject of study in both academic and pharmaceutical contexts.

In the words of a noted researcher, “The journey of discovering new drugs often starts from the simple but profound understanding of the chemistry behind these compounds.” This perspective highlights the importance of studying compounds like 2-[[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylene]amino]guanidine, where small changes can lead to big outcomes.

Synonyms
MLS002701985
FBGUSGCVXYLMEC-UHFFFAOYSA-N
2-[[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine
NCI60_000639
SMR001565562