CAS 736136-62-2

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

Description:

Trans-4-[2-Oxo-2-[2-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxylic acid, identified by its CAS number 736136-62-2, is a chemical compound characterized by its unique structural features, including a cyclohexane ring and a trifluoromethyl group. This compound exhibits a carboxylic acid functional group, which contributes to its acidity and potential reactivity in various chemical reactions. The presence of the trifluoromethyl group enhances its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. The trans configuration of the molecule indicates specific stereochemistry that can affect its interactions with biological targets. Additionally, the ketone functionality within the structure may participate in hydrogen bonding and other intermolecular interactions. Overall, this compound's distinctive characteristics make it a subject of interest in organic synthesis and medicinal chemistry, where its properties can be leveraged for the development of novel therapeutic agents.

Formula: C₁₆H₁₇F₃O₃

InChI: InChI=1/C16H17F3O3/c17-16(18,19)13-4-2-1-3-12(13)14(20)9-10-5-7-11(8-6-10)15(21)22/h1-4,10-11H,5-9H2,(H,21,22)/t10-,11-

InChI key: InChIKey=RPFUTUFNRZCWPB-XYPYZODXNA-N

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

Synonyms:

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