CAS 735274-90-5

rel-(1R,2S)-2-[2-(3-Fluorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid

Description:

Rel-(1R,2S)-2-[2-(3-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 a 3-fluorophenyl group indicates that the compound may exhibit unique electronic properties due to the electronegative fluorine atom, which can influence its interactions and biological activity. The oxoethyl substituent suggests the presence of a carbonyl group, which can participate in various chemical reactions, including nucleophilic attacks and condensation reactions. This compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural features that could interact with biological targets. Its specific stereochemistry (1R,2S) may also play a crucial role in determining its biological activity and pharmacokinetics. Overall, the compound's characteristics make it a subject of interest for further research and application in various chemical and pharmaceutical contexts.

Formula: C₁₅H₁₇FO₃

InChI: InChI=1/C15H17FO3/c16-12-6-3-5-11(8-12)14(17)9-10-4-1-2-7-13(10)15(18)19/h3,5-6,8,10,13H,1-2,4,7,9H2,(H,18,19)/t10-,13+/m0/s1

InChI key: InChIKey=HKQMYZIHQYRFEN-KQKSKQCLNA-N

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

Synonyms:

• Cyclohexanecarboxylic acid, 2-[2-(3-fluorophenyl)-2-oxoethyl]-, (1R,2S)-rel-
• rel-(1R,2S)-2-[2-(3-Fluorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid
• TRANS-2-[2-(3-FLUOROPHENYL)-2-OXOETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID
• (1R,2S)-2-[2-(3-fluorophenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid