CAS 111857-42-2

(1R,2R)-2-(4-fluorobenzoyl)cyclohexanecarboxylate

Description:

(1R,2R)-2-(4-fluorobenzoyl)cyclohexanecarboxylate is a chemical compound characterized by its specific stereochemistry and functional groups. It features a cyclohexane ring with a carboxylate group and a 4-fluorobenzoyl moiety, which contributes to its potential biological activity and chemical reactivity. The presence of the fluorine atom in the aromatic ring can enhance lipophilicity and influence the compound's interaction with biological targets. This compound is typically used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its stereochemical configuration, denoted by (1R,2R), indicates that it has specific spatial arrangements of its atoms, which can significantly affect its physical properties, such as melting point, solubility, and reactivity. Additionally, the carboxylate group can participate in various chemical reactions, including esterification and nucleophilic substitution, making it versatile in synthetic applications. Overall, this compound exemplifies the complexity and utility of chiral molecules in chemical research and development.

Formula: C₁₄H₁₄FO₃

InChI: InChI=1/C14H15FO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h5-8,11-12H,1-4H2,(H,17,18)/p-1/t11-,12-/m1/s1

SMILES: C1CC[C@H]([C@@H](C1)C(=O)c1ccc(cc1)F)C(=O)[O-]