CAS 1443312-34-2

rel-(1R,2S)-2-[3-Fluoro-5-(trifluoromethyl)benzoyl]cyclohexanecarboxylic acid

Description:

Rel-(1R,2S)-2-[3-Fluoro-5-(trifluoromethyl)benzoyl]cyclohexanecarboxylic acid is a chemical compound characterized by its unique structural features, which include a cyclohexane ring substituted with a carboxylic acid group and a benzoyl moiety that contains both a fluorine and a trifluoromethyl group. The presence of these fluorinated groups often enhances the compound's lipophilicity and can influence its biological activity, making it of interest in pharmaceutical research. The stereochemistry indicated by the "rel-(1R,2S)" notation suggests specific spatial arrangements of the atoms, which can significantly affect the compound's reactivity and interactions with biological targets. This compound may exhibit properties such as increased stability and altered solubility due to the fluorine substituents. Additionally, its potential applications could range from medicinal chemistry to agrochemicals, depending on its biological activity and interaction with various receptors or enzymes. As with many fluorinated compounds, it is essential to consider environmental and safety aspects during handling and application.

Formula: C₁₅H₁₄F₄O₃

InChI: InChI=1/C15H14F4O3/c16-10-6-8(5-9(7-10)15(17,18)19)13(20)11-3-1-2-4-12(11)14(21)22/h5-7,11-12H,1-4H2,(H,21,22)/t11-,12+/s2

InChI key: InChIKey=VDARRLUYYMKFNR-WEUYFXHZNA-N

SMILES: C(=O)([C@H]1[C@@H](C(O)=O)CCCC1)C2=CC(C(F)(F)F)=CC(F)=C2

Synonyms:

• rel-(1R,2S)-2-[3-Fluoro-5-(trifluoromethyl)benzoyl]cyclohexanecarboxylic acid
• Cyclohexanecarboxylic acid, 2-[3-fluoro-5-(trifluoromethyl)benzoyl]-, (1R,2S)-rel-