CAS 736136-51-9

(1R,2R)-2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxylic acid

Description:

The chemical substance known as (1R,2R)-2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxylic acid, with the CAS number 736136-51-9, is a chiral compound characterized by its cyclohexane backbone and a carboxylic acid functional group. This compound features a trifluoromethyl group, which enhances its lipophilicity and can influence its biological activity. The presence of the ketone and carboxylic acid functionalities suggests potential reactivity and interactions in various chemical environments. The stereochemistry indicated by the (1R,2R) configuration implies specific spatial arrangements that can affect the compound's pharmacological properties, making it of interest in medicinal chemistry. Additionally, the trifluoromethyl group is known for its ability to modulate the electronic properties of the molecule, potentially impacting its binding affinity in biological systems. Overall, this compound's unique structural features may contribute to its utility in research and development, particularly in the fields of pharmaceuticals and agrochemicals.

Formula: C₁₆H₁₇F₃O₃

InChI: InChI=1/C16H17F3O3/c17-16(18,19)12-6-3-5-11(8-12)14(20)9-10-4-1-2-7-13(10)15(21)22/h3,5-6,8,10,13H,1-2,4,7,9H2,(H,21,22)/t10-,13-/m1/s1

SMILES: C1CC[C@H]([C@H](C1)CC(=O)c1cccc(c1)C(F)(F)F)C(=O)O