CAS 735274-99-4

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

Description:

Rel-(1R,2S)-2-[2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxylic acid 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,2S) 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 typical of carboxylic acids, such as acidity and the ability to form hydrogen bonds. Its potential applications could span pharmaceuticals, agrochemicals, or materials science, depending on its specific interactions and reactivity profiles. Additionally, the oxo group contributes to its reactivity, potentially allowing for further derivatization or participation in various chemical reactions. Overall, the unique combination of functional groups and stereochemistry makes this compound of interest in various fields of research.

Formula: C₁₆H₁₇F₃O₃

InChI: InChI=1/C16H17F3O3/c17-16(18,19)12-6-3-5-11(8-12)14(20)9-10-4-1-2-7-13(10)15(21)22/h3,5-6,8,10,13H,1-2,4,7,9H2,(H,21,22)/t10-,13+/s2

InChI key: InChIKey=ZPIWCRNJAWHXTF-KQKSKQCLNA-N

SMILES: C(C(=O)C1=CC(C(F)(F)F)=CC=C1)[C@H]2[C@H](C(O)=O)CCCC2

Synonyms:

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