CAS 735274-94-9

rel-(1R,2S)-2-[2-(2-Fluorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid

Description:

Rel-(1R,2S)-2-[2-(2-Fluorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid is a chemical compound characterized by its specific stereochemistry and functional groups. It features a cyclohexane ring with a carboxylic acid group, which contributes to its acidity and potential reactivity. The presence of the 2-fluorophenyl group indicates that the compound has a fluorine atom substituted on a phenyl ring, which can influence its electronic properties and biological activity. The oxoethyl moiety suggests the presence of a carbonyl group, which can participate in various chemical reactions, including nucleophilic attacks. This compound may exhibit specific pharmacological properties due to its structural features, making it of interest in medicinal chemistry. Its stereochemistry, denoted by the (1R,2S) configuration, is crucial for determining its interactions with biological targets, as stereoisomers can have significantly different effects in biological systems. Overall, this compound's unique structure and functional groups make it a subject of interest for further research in chemical and pharmaceutical applications.

Formula: C₁₅H₁₇FO₃

InChI: InChI=1/C15H17FO3/c16-13-8-4-3-7-12(13)14(17)9-10-5-1-2-6-11(10)15(18)19/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,18,19)/t10-,11+/s2

InChI key: InChIKey=ZNZUKXMBGNTLNW-WIBLRKLZNA-N

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

Synonyms:

• rel-(1R,2S)-2-[2-(2-Fluorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid
• Cyclohexanecarboxylic acid, 2-[2-(2-fluorophenyl)-2-oxoethyl]-, (1R,2S)-rel-