CAS 733742-79-5

rel-(1R,2R)-2-(3-Fluorobenzoyl)cyclohexanecarboxylic acid

Description:

Rel-(1R,2R)-2-(3-Fluorobenzoyl)cyclohexanecarboxylic acid is a chiral compound characterized by its cyclohexane ring structure, which is substituted with a 3-fluorobenzoyl group and a carboxylic acid functional group. The presence of the fluorine atom in the aromatic ring can influence the compound's reactivity and biological activity, often enhancing lipophilicity and altering interaction with biological targets. The specific stereochemistry indicated by the (1R,2R) configuration suggests that the compound has distinct spatial arrangements, which can significantly affect its pharmacological properties. This compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its potential biological activity and the importance of chirality in drug design. Its CAS number, 733742-79-5, allows for easy identification and retrieval of information regarding its properties, safety data, and applications in various chemical databases. Overall, this compound exemplifies the complexity and significance of stereochemistry in organic chemistry and drug development.

Formula: C₁₄H₁₅FO₃

InChI: InChI=1/C14H15FO3/c15-10-5-3-4-9(8-10)13(16)11-6-1-2-7-12(11)14(17)18/h3-5,8,11-12H,1-2,6-7H2,(H,17,18)/t11-,12-/s2

InChI key: InChIKey=YJIFMHRCDUOGST-XXCBQWOANA-N

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

Synonyms:

• rel-(1R,2R)-2-(3-Fluorobenzoyl)cyclohexanecarboxylic acid
• Cyclohexanecarboxylic acid, 2-(3-fluorobenzoyl)-, (1R,2R)-rel-