CAS 910443-00-4

Hexahydro-2-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-1H-azepine

Description:

Hexahydro-2-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-1H-azepine is a chemical compound characterized by its unique structure, which includes a saturated azepine ring and a pentafluoroethyl substituent. The presence of the pentafluoroethyl group imparts significant fluorine content, which can enhance the compound's lipophilicity and stability, making it of interest in various applications, including pharmaceuticals and materials science. The azepine ring, a seven-membered nitrogen-containing heterocycle, contributes to the compound's potential biological activity and reactivity. This compound may exhibit interesting properties such as altered solubility and volatility due to the fluorinated substituents. Additionally, the phenyl group attached to the azepine ring can influence the electronic properties and steric hindrance, affecting its interactions with biological targets or other chemical species. Overall, the combination of these structural features suggests that Hexahydro-2-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-1H-azepine could be a valuable compound for further research and development in various chemical and pharmaceutical contexts.

Formula: C₁₄H₁₆F₅N

InChI: InChI=1S/C14H16F5N/c15-13(16,14(17,18)19)12(9-5-2-6-10-20-12)11-7-3-1-4-8-11/h1,3-4,7-8,20H,2,5-6,9-10H2

InChI key: InChIKey=GMKBAZCYLWEBBL-UHFFFAOYSA-N

SMILES: C(C(F)(F)F)(F)(F)C1(CCCCCN1)C2=CC=CC=C2

Synonyms:

• Hexahydro-2-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-1H-azepine
• 1H-Azepine, hexahydro-2-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-
• 1H-Azepine, hexahydro-2-(pentafluoroethyl)-2-phenyl-