CAS 1202006-95-8

1-(3,4-Difluorophenyl)-4-oxocyclohexanecarbonitrile

Description:

1-(3,4-Difluorophenyl)-4-oxocyclohexanecarbonitrile is a chemical compound characterized by its unique structure, which includes a cyclohexane ring, a carbonitrile functional group, and a difluorophenyl substituent. The presence of the carbonitrile group indicates that it has potential applications in organic synthesis and medicinal chemistry, as nitriles can serve as precursors for various functional groups. The difluorophenyl moiety suggests that the compound may exhibit interesting electronic properties and biological activity due to the electronegative fluorine atoms, which can influence the compound's reactivity and interaction with biological targets. Additionally, the ketone functionality (4-oxo) contributes to the compound's potential as a reactive intermediate in chemical reactions. Overall, this compound may be of interest in the development of pharmaceuticals or agrochemicals, although specific biological activities and physical properties would require further investigation through experimental studies.

Formula: C₁₃H₁₁F₂NO

InChI: InChI=1S/C13H11F2NO/c14-11-2-1-9(7-12(11)15)13(8-16)5-3-10(17)4-6-13/h1-2,7H,3-6H2

InChI key: InChIKey=OTZQHUVUIGLYNG-UHFFFAOYSA-N

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

Synonyms:

• 1-(3,4-Difluorophenyl)-4-oxocyclohexanecarbonitrile
• Cyclohexanecarbonitrile, 1-(3,4-difluorophenyl)-4-oxo-
• 1-(3,4-Difluorophenyl)-4-oxocyclohexane-1-carbonitrile