CAS 1202006-94-7

1-(3,5-Difluorophenyl)-4-oxocyclohexanecarbonitrile

Description:

1-(3,5-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 versatile intermediates. 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 functional group (4-oxo) contributes to the compound's potential reactivity, allowing for various chemical transformations. Overall, this compound's unique combination of functional groups may make it a candidate for further research in drug development or material science, although specific properties such as solubility, melting point, and stability would need to be determined through experimental studies.

Formula: C₁₃H₁₁F₂NO

InChI: InChI=1S/C13H11F2NO/c14-10-5-9(6-11(15)7-10)13(8-16)3-1-12(17)2-4-13/h5-7H,1-4H2

InChI key: InChIKey=KESRSOYFTOOXFJ-UHFFFAOYSA-N

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

Synonyms:

• 1-(3,5-Difluorophenyl)-4-oxocyclohexanecarbonitrile
• Cyclohexanecarbonitrile, 1-(3,5-difluorophenyl)-4-oxo-
• 1-(3,5-Difluorophenyl)-4-oxocyclohexane-1-carbonitrile