CAS 886368-74-7

2-(1-Amino-2,2,2-trifluoroethyl)benzonitrile

Description:

2-(1-Amino-2,2,2-trifluoroethyl)benzonitrile, with the CAS number 886368-74-7, is an organic compound characterized by the presence of a benzonitrile moiety and a trifluoroethyl group substituted with an amino group. This compound typically exhibits a white to off-white solid appearance and is soluble in polar organic solvents. The trifluoroethyl group imparts unique electronic and steric properties, making it of interest in various chemical applications, including medicinal chemistry and material science. The amino group can participate in hydrogen bonding, enhancing its reactivity and potential interactions with biological targets. Additionally, the presence of the nitrile functional group contributes to its polarity and can influence its chemical behavior, such as reactivity in nucleophilic addition reactions. Overall, this compound's distinctive structure and functional groups make it a valuable candidate for research in drug development and other chemical applications.

Formula: C₉H₇F₃N₂

InChI: InChI=1S/C9H7F3N2/c10-9(11,12)8(14)7-4-2-1-3-6(7)5-13/h1-4,8H,14H2

InChI key: InChIKey=DGGKCLUWNDUVNQ-UHFFFAOYSA-N

SMILES: C(C(F)(F)F)(N)C1=C(C#N)C=CC=C1

Synonyms:

• Benzonitrile, 2-(1-amino-2,2,2-trifluoroethyl)-
• 2-(1-Amino-2,2,2-trifluoroethyl)benzonitrile