CAS 733740-15-3

rel-(1R,2S)-2-(3-Fluorobenzoyl)cyclopentanecarboxylic acid

Description:

Rel-(1R,2S)-2-(3-Fluorobenzoyl)cyclopentanecarboxylic acid is a chiral compound characterized by its cyclopentane ring structure, which is substituted with a carboxylic acid group and a 3-fluorobenzoyl moiety. The presence of the fluorine atom in the benzoyl group can influence the compound's reactivity and biological activity, often enhancing lipophilicity and altering pharmacokinetic properties. The specific stereochemistry, indicated by the (1R,2S) configuration, plays a crucial role in the compound's interactions with biological targets, potentially affecting its efficacy and safety profile in pharmaceutical applications. This compound is likely to exhibit moderate solubility in organic solvents and may have limited solubility in water due to the hydrophobic cyclopentane and aromatic components. Its unique structure makes it of interest in medicinal chemistry, particularly in the development of novel therapeutic agents. As with many carboxylic acids, it may participate in acid-base reactions and form salts or esters under appropriate conditions.

Formula: C₁₃H₁₃FO₃

InChI: InChI=1/C13H13FO3/c14-9-4-1-3-8(7-9)12(15)10-5-2-6-11(10)13(16)17/h1,3-4,7,10-11H,2,5-6H2,(H,16,17)/t10-,11+/s2

InChI key: InChIKey=YWYRHYHQPXIURO-WIBLRKLZNA-N

SMILES: C(=O)([C@H]1[C@@H](C(O)=O)CCC1)C2=CC(F)=CC=C2

Synonyms:

• Cyclopentanecarboxylic acid, 2-(3-fluorobenzoyl)-, (1R,2S)-rel-
• rel-(1R,2S)-2-(3-Fluorobenzoyl)cyclopentanecarboxylic acid