CAS 735275-00-0

rel-(1R,2S)-2-[2-Oxo-2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxylic acid

Description:

Rel-(1R,2S)-2-[2-Oxo-2-[4-(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, making it of interest in pharmaceutical research. 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 is likely to exhibit properties typical of carboxylic acids, such as acidity and the ability to form hydrogen bonds. Its potential applications may include roles in medicinal chemistry, particularly in the development of drugs targeting specific pathways or receptors. As with many synthetic compounds, understanding its stability, solubility, and reactivity under various conditions is crucial for its practical use in research and industry.

Formula: C₁₆H₁₇F₃O₃

InChI: InChI=1/C16H17F3O3/c17-16(18,19)12-7-5-10(6-8-12)14(20)9-11-3-1-2-4-13(11)15(21)22/h5-8,11,13H,1-4,9H2,(H,21,22)/t11-,13+/s2

InChI key: InChIKey=XQKZBVGBIMPIMD-VEZULTJBNA-N

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

Synonyms:

• rel-(1R,2S)-2-[2-Oxo-2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxylic acid
• Cyclohexanecarboxylic acid, 2-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-, (1R,2S)-rel-