CAS 898784-45-7

2-[2-Oxo-2-[2-(trifluoromethyl)phenyl]ethyl]benzonitrile

Description:

2-[2-Oxo-2-[2-(trifluoromethyl)phenyl]ethyl]benzonitrile, with the CAS number 898784-45-7, 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 the compound's biological activity, making it of interest in drug design and development. Additionally, the nitrile group may impart specific electronic properties, affecting the compound's interaction with biological targets. The compound's solubility, stability, and reactivity can vary based on environmental conditions and the presence of other functional groups. Overall, 2-[2-Oxo-2-[2-(trifluoromethyl)phenyl]ethyl]benzonitrile represents a class of compounds that may exhibit significant pharmacological properties, warranting further investigation in the context of pharmaceutical research and development.

Formula: C₁₆H₁₀F₃NO

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

InChI key: InChIKey=MFZDCVQWJXWBJL-UHFFFAOYSA-N

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

Synonyms:

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