CAS 898784-55-9

3-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzonitrile

Description:

3-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzonitrile, with the CAS number 898784-55-9, is a synthetic organic compound characterized by its complex structure, which includes a benzonitrile moiety and a trifluoromethyl-substituted phenyl group. This compound features a ketone functional group, contributing to its reactivity and potential applications in medicinal chemistry. The presence of the trifluoromethyl group enhances lipophilicity and can influence biological activity, making it of interest in drug design. The nitrile group may also impart unique properties, such as increased polarity and potential for hydrogen bonding. Overall, this compound is likely to exhibit interesting chemical behavior, including potential interactions with biological targets, making it a candidate for further research in pharmaceutical applications. Its stability, solubility, and reactivity would depend on the specific conditions and solvents used in experiments.

Formula: C₁₆H₁₀F₃NO

InChI: InChI=1S/C16H10F3NO/c17-16(18,19)14-6-4-13(5-7-14)15(21)9-11-2-1-3-12(8-11)10-20/h1-8H,9H2

InChI key: InChIKey=OSLQVNOWVWVLRA-UHFFFAOYSA-N

SMILES: C(CC1=CC(C#N)=CC=C1)(=O)C2=CC=C(C(F)(F)F)C=C2

Synonyms:

• Benzonitrile, 3-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-
• 3-[2-Oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzonitrile

2-(3-Cyanophenyl)-4′-trifluoromethylacetophenone

CAS: 898784-55-9

Formula: C₁₆H₁₀F₃NO

Purity: 97.0%

Molecular weight: 289.257

Ref: 10-F203812