CAS 733740-16-4

rel-(1R,2S)-2-(4-Fluorobenzoyl)cyclopentanecarboxylic acid

Description:

Rel-(1R,2S)-2-(4-Fluorobenzoyl)cyclopentanecarboxylic acid is a chiral compound characterized by its cyclopentane ring structure, which is substituted with a 4-fluorobenzoyl group and a carboxylic acid functional group. The presence of the fluorine atom in the aromatic ring can influence the compound's electronic properties and reactivity, potentially enhancing its biological activity. The specific stereochemistry, indicated by the (1R,2S) configuration, suggests that the compound exhibits optical activity, which may be relevant in pharmacological contexts. This compound is likely to be a solid at room temperature, with solubility varying in different solvents due to the polar carboxylic acid group and the non-polar cyclopentane ring. Its potential applications could span medicinal chemistry, particularly in the development of pharmaceuticals, where the unique structural features may contribute to specific interactions with biological targets. As with many organic compounds, safety data and handling precautions should be considered, especially regarding its potential toxicity and environmental impact.

Formula: C₁₃H₁₃FO₃

InChI: InChI=1/C13H13FO3/c14-9-6-4-8(5-7-9)12(15)10-2-1-3-11(10)13(16)17/h4-7,10-11H,1-3H2,(H,16,17)/t10-,11+/s2

InChI key: InChIKey=NHQQJKKAHSUBRB-WIBLRKLZNA-N

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

Synonyms:

• rel-(1R,2S)-2-(4-Fluorobenzoyl)cyclopentanecarboxylic acid
• Cyclopentanecarboxylic acid, 2-(4-fluorobenzoyl)-, (1R,2S)-rel-