CAS 1186647-72-2

(3S,4R)-4-[2-Fluoro-4-(trifluoromethyl)phenyl]-3-pyrrolidinemethanol

Description:

The chemical substance known as (3S,4R)-4-[2-Fluoro-4-(trifluoromethyl)phenyl]-3-pyrrolidinemethanol, with the CAS number 1186647-72-2, is characterized by its specific stereochemistry, indicated by the (3S,4R) configuration. This compound features a pyrrolidine ring, which is a five-membered nitrogen-containing heterocycle, and is substituted with a phenyl group that has both a fluoro and a trifluoromethyl group, contributing to its unique electronic properties. The presence of these fluorinated groups often enhances the lipophilicity and metabolic stability of the compound, making it of interest in medicinal chemistry. The hydroxymethyl group at the 3-position of the pyrrolidine adds to its potential for hydrogen bonding, influencing its solubility and reactivity. Overall, this compound may exhibit interesting biological activities, making it a candidate for further research in pharmaceutical applications. Its specific structural features suggest potential interactions with biological targets, warranting investigation into its pharmacological properties.

Formula: C₁₂H₁₃F₄NO

InChI: InChI=1S/C12H13F4NO/c13-11-3-8(12(14,15)16)1-2-9(11)10-5-17-4-7(10)6-18/h1-3,7,10,17-18H,4-6H2/t7-,10+/m0/s1

InChI key: InChIKey=CAAYAKAMXKQECI-OIBJUYFYSA-N

SMILES: C(O)[C@H]1[C@@H](CNC1)C2=C(F)C=C(C(F)(F)F)C=C2

Synonyms:

• 3-Pyrrolidinemethanol, 4-[2-fluoro-4-(trifluoromethyl)phenyl]-, (3S,4R)-
• (3S,4R)-4-[2-Fluoro-4-(trifluoromethyl)phenyl]-3-pyrrolidinemethanol