CAS 733742-66-0

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

Description:

Rel-(1R,2S)-2-(3-Fluorobenzoyl)cyclohexanecarboxylic acid is a chiral compound characterized by its cyclohexane ring structure substituted with a carboxylic acid group and a 3-fluorobenzoyl moiety. 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 distinct spatial arrangements that can affect its interactions with biological targets, making it relevant in medicinal chemistry. This compound is likely to be a solid at room temperature, with solubility characteristics influenced by the polar carboxylic acid group and the non-polar cyclohexane ring. Its unique structure may confer specific pharmacological properties, making it a candidate for further research in drug development. As with many organic compounds, safety and handling precautions should be observed due to potential toxicity or reactivity.

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-WEUYFXHZNA-N

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

Synonyms:

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