CAS 898784-57-1

4-[2-Oxo-2-[2-(trifluoromethyl)phenyl]ethyl]benzonitrile

Description:

4-[2-Oxo-2-[2-(trifluoromethyl)phenyl]ethyl]benzonitrile, with the CAS number 898784-57-1, is a synthetic organic compound characterized by its complex molecular structure. It features a benzonitrile moiety, which is a benzene ring substituted with a nitrile group, and a trifluoromethyl group that enhances its lipophilicity and biological activity. The presence of the ketone functional group (2-oxo) contributes to its reactivity and potential interactions in various chemical environments. This compound is typically used in pharmaceutical research and development, particularly in the synthesis of biologically active molecules. Its unique trifluoromethyl group can impart significant effects on the compound's pharmacokinetics and pharmacodynamics, making it a subject of interest in medicinal chemistry. Additionally, the compound's stability and solubility characteristics are influenced by its functional groups, which can affect its behavior in biological systems. Overall, 4-[2-Oxo-2-[2-(trifluoromethyl)phenyl]ethyl]benzonitrile represents a valuable structure for exploring new therapeutic agents.

Formula: C₁₆H₁₀F₃NO

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

InChI key: InChIKey=VTOXIFOQLHQQTP-UHFFFAOYSA-N

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

Synonyms:

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

2-(4-cyanophenyl)-2′-trifluoromethylacetophenone

CAS: 898784-57-1

Formula: C₁₆H₁₀F₃NO

Purity: 97.0%

Molecular weight: 289.257

Ref: 10-F203813