CAS 735275-40-8

rel-(1R,3S)-3-[2-Oxo-2-[2-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxylic acid

Description:

Rel-(1R,3S)-3-[2-Oxo-2-[2-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxylic acid, with CAS number 735275-40-8, is a chemical compound characterized by its unique structural features, including a cyclohexane ring and a trifluoromethyl-substituted phenyl group. This compound exhibits a carboxylic acid functional group, which contributes to its acidic properties 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 stereochemistry indicated by the (1R,3S) configuration suggests specific spatial arrangements of atoms, which can significantly affect the compound's interactions with biological targets. Additionally, the ketone functionality within the molecule may participate in various chemical transformations, further expanding its utility in synthetic applications. Overall, this compound's distinctive features make it a subject of interest in medicinal chemistry and related fields.

Formula: C₁₆H₁₇F₃O₃

InChI: InChI=1/C16H17F3O3/c17-16(18,19)13-7-2-1-6-12(13)14(20)9-10-4-3-5-11(8-10)15(21)22/h1-2,6-7,10-11H,3-5,8-9H2,(H,21,22)/t10-,11+/s2

InChI key: InChIKey=GQXBAYXYFBWKJZ-WIBLRKLZNA-N

SMILES: C(C[C@H]1C[C@@H](C(O)=O)CCC1)(=O)C2=C(C(F)(F)F)C=CC=C2

Synonyms:

• rel-(1R,3S)-3-[2-Oxo-2-[2-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxylic acid
• Cyclohexanecarboxylic acid, 3-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]-, (1R,3S)-rel-