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Fluorophenyl compound

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Identification
Molecular formula
C21H29F4NO
CAS number
172152-23-5
IUPAC name
1-(4-fluorophenyl)-4-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]butan-1-one
State
State
At room temperature, this compound is a solid.
Melting point (Celsius)
89.50
Melting point (Kelvin)
362.65
Boiling point (Celsius)
345.90
Boiling point (Kelvin)
619.05
General information
Molecular weight
401.50g/mol
Molar mass
401.4980g/mol
Density
1.2710g/cm3
Appearence
This compound is typically found as a crystalline solid. It can range from being white to off-white in color.
Comment on solubility

Solubility of 1-(4-fluorophenyl)-4-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]butan-1-one

The solubility of 1-(4-fluorophenyl)-4-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]butan-1-one can be influenced by several key factors:

  • Polarity: This compound features both hydrophobic (nonpolar) and polar groups, which suggests a variable solubility in different solvents. It is likely to be more soluble in organic solvents such as ethanol or chloroform compared to water.
  • Hydrogen Bonding: The presence of nitrogen in the spiro structure can allow for some degree of hydrogen bonding, potentially impacting its solubility in polar solvents.
  • Fluorine Substituents: The significant presence of fluorine atoms, specifically in the trifluoromethyl group, often enhances lipophilicity (the affinity for fats), which could reduce water solubility.

In summary, while this compound may exhibit low-to-moderate solubility in water due to its complex structure, it is expected to show better solubility in organic solvents. As a general guideline, always consider performing solubility tests in the intended solvents to confirm behaviors predicted by theory.

Interesting facts

Interesting Facts About 1-(4-Fluorophenyl)-4-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]butan-1-one

This intriguing compound falls within the category of organic compounds and presents a unique structure that contributes to its potential applications in various scientific fields. Here are some fascinating aspects of this compound:

  • Complex Structure: The presence of a spirocyclic structure makes this compound interesting from a synthetic and pharmacological perspective. Spiro compounds often exhibit unique biological activities due to their three-dimensional conformation.
  • Fluorine Atoms: The incorporation of fluorine atoms, specifically as seen with the trifluoromethyl group and the 4-fluorophenyl moiety, enhances the compound's lipophilicity and metabolic stability, making it a candidate for various pharmaceutical applications.
  • Potential Pharmacological Activity: Researchers are increasingly exploring the effects of compounds like this on neurological systems. The presence of the nitrogen in the azaspiro structure hints at potential effects on neurotransmitter pathways.
  • Diverse Applications: Beyond pharmaceuticals, the interesting chemical properties associated with such compounds may open doors for applications in materials science, agrochemicals, and even in the development of novel pesticides.

In summary, 1-(4-fluorophenyl)-4-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]butan-1-one exemplifies how complex organic structures can lead to a myriad of possibilities in research and development. As scientists continue to explore its potential, it may yet yield remarkable insights and innovations.

Synonyms
21704-21-2
4'-Fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)butyrophenone
BUTYROPHENONE, 4'-FLUORO-4-(8-(TRIFLUOROMETHYL)-3-AZASPIRO(5.5)UNDEC-3-YL)-
RefChem:331426
DTXSID00944319
1-(4-Fluorophenyl)-4-[8-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]butan-1-one