CAS 898777-70-3

2-[1-Oxo-3-(3,4,5-trifluorophenyl)propyl]benzonitrile

Description:

2-[1-Oxo-3-(3,4,5-trifluorophenyl)propyl]benzonitrile, with the CAS number 898777-70-3, is a synthetic organic compound characterized by its complex structure, which includes a benzonitrile moiety and a trifluorophenyl group. This compound typically exhibits a high degree of lipophilicity due to the presence of multiple aromatic rings and fluorine substituents, which can influence its solubility and reactivity. The trifluoromethyl groups are known to enhance the compound's biological activity and stability, making it of interest in pharmaceutical research. The presence of the carbonyl group (oxo) contributes to its potential reactivity, allowing for various chemical transformations. Additionally, the nitrile functional group can participate in nucleophilic reactions, further expanding its utility in organic synthesis. Overall, this compound's unique structural features suggest potential applications in medicinal chemistry, particularly in the development of novel therapeutic agents.

Formula: C₁₆H₁₀F₃NO

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

InChI key: InChIKey=DQVNIZCFKWOSKB-UHFFFAOYSA-N

SMILES: C(CCC1=CC(F)=C(F)C(F)=C1)(=O)C2=C(C#N)C=CC=C2

Synonyms:

• Benzonitrile, 2-[1-oxo-3-(3,4,5-trifluorophenyl)propyl]-
• 2-[1-Oxo-3-(3,4,5-trifluorophenyl)propyl]benzonitrile