CAS 735275-41-9

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

Description:

Rel-(1R,3S)-3-[2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxylic acid, with CAS number 735275-41-9, is a chemical compound characterized by its complex structure, which includes a cyclohexane ring, a carboxylic acid functional group, and a trifluoromethyl-substituted phenyl group. The presence of the trifluoromethyl group enhances the compound's lipophilicity and may influence its biological activity. The stereochemistry indicated by the (1R,3S) configuration suggests specific spatial arrangements of atoms, which can significantly affect the compound's reactivity and interactions with biological targets. This compound may exhibit properties relevant to medicinal chemistry, particularly in the development of pharmaceuticals, due to its unique functional groups and structural features. Additionally, the oxo group contributes to its potential reactivity, making it a candidate for various chemical transformations. Overall, the compound's characteristics make it of interest in both synthetic and medicinal chemistry contexts.

Formula: C₁₆H₁₇F₃O₃

InChI: InChI=1/C16H17F3O3/c17-16(18,19)13-6-2-4-11(9-13)14(20)8-10-3-1-5-12(7-10)15(21)22/h2,4,6,9-10,12H,1,3,5,7-8H2,(H,21,22)/t10-,12+/s2

InChI key: InChIKey=JWKYUZAQKFDNFR-XWJGPBAUNA-N

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

Synonyms:

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