CAS 736136-64-4

trans-4-[2-Oxo-2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxylic acid

Description:

Trans-4-[2-Oxo-2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxylic acid is a chemical compound characterized by its unique structural features, including a cyclohexane ring and a trifluoromethyl group, which significantly influences its chemical properties. The presence of the carboxylic acid functional group contributes to its acidity and potential reactivity in various chemical reactions. The compound's trans configuration indicates a specific spatial arrangement of its substituents, which can affect its biological activity and interactions with other molecules. The trifluoromethyl group enhances lipophilicity and can improve the compound's pharmacokinetic properties, making it of interest in medicinal chemistry. Additionally, the ketone functionality introduces potential sites for further chemical modification. Overall, this compound's characteristics make it a subject of interest in research, particularly in the fields of organic synthesis and drug development, where its unique properties can be leveraged for specific applications.

Formula: C₁₆H₁₇F₃O₃

InChI: InChI=1/C16H17F3O3/c17-16(18,19)13-7-5-11(6-8-13)14(20)9-10-1-3-12(4-2-10)15(21)22/h5-8,10,12H,1-4,9H2,(H,21,22)/t10-,12-

InChI key: InChIKey=VVCQMWSCLCCYFG-UMSPYCQHNA-N

SMILES: C(C[C@H]1CC[C@H](C(O)=O)CC1)(=O)C2=CC=C(C(F)(F)F)C=C2

Synonyms:

• Cyclohexanecarboxylic acid, 4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-, trans-
• trans-4-[2-Oxo-2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxylic acid