CAS 1334146-44-9

5,5-Difluorohexahydro-1H-azepine-4-carboxylic acid

Description:

5,5-Difluorohexahydro-1H-azepine-4-carboxylic acid is a chemical compound characterized by its unique bicyclic structure, which includes a saturated azepine ring and a carboxylic acid functional group. The presence of two fluorine atoms at the 5-position of the hexahydroazepine ring contributes to its distinctive reactivity and potential biological activity. This compound is likely to exhibit polar characteristics due to the carboxylic acid group, which can participate in hydrogen bonding and influence its solubility in polar solvents. The fluorine substituents may enhance lipophilicity and alter the compound's pharmacokinetic properties. As a member of the azepine family, it may be of interest in medicinal chemistry for its potential applications in drug development, particularly in targeting specific biological pathways. Its synthesis and characterization would typically involve standard organic chemistry techniques, and its stability and reactivity would be influenced by the electronic effects of the fluorine atoms and the overall molecular structure.

Formula: C₇H₁₁F₂NO₂

InChI: InChI=1S/C7H11F2NO2/c8-7(9)2-4-10-3-1-5(7)6(11)12/h5,10H,1-4H2,(H,11,12)

InChI key: InChIKey=DNBMFMQDVKYORS-UHFFFAOYSA-N

SMILES: FC1(F)C(C(O)=O)CCNCC1

Synonyms:

• 1H-Azepine-4-carboxylic acid, 5,5-difluorohexahydro-
• 5,5-Difluorohexahydro-1H-azepine-4-carboxylic acid