CAS 1638612-61-9

rel-(2R,4R)-2-Fluoro-4-(phenylmethoxy)cyclohexanone

Description:

Rel-(2R,4R)-2-Fluoro-4-(phenylmethoxy)cyclohexanone is a chiral organic compound characterized by its cyclohexanone structure, which features a fluorine atom and a phenylmethoxy group. The presence of the fluorine atom at the 2-position contributes to its unique reactivity and potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. The phenylmethoxy group at the 4-position enhances the compound's lipophilicity, which can influence its biological activity and interaction with various biological targets. The specific stereochemistry, indicated by the (2R,4R) configuration, is crucial for the compound's properties, as stereoisomers can exhibit significantly different behaviors in chemical reactions and biological systems. This compound may be of interest in research related to drug design and synthesis, where the manipulation of stereochemistry is essential for optimizing efficacy and reducing side effects. Overall, rel-(2R,4R)-2-Fluoro-4-(phenylmethoxy)cyclohexanone represents a valuable structure for further exploration in organic and medicinal chemistry.

Formula: C₁₃H₁₅FO₂

InChI: InChI=1/C13H15FO2/c14-12-8-11(6-7-13(12)15)16-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12-/s2

InChI key: InChIKey=KBAAMMVYXJFIMQ-XXCBQWOANA-N

SMILES: O(CC1=CC=CC=C1)[C@@H]2C[C@H](F)C(=O)CC2

Synonyms:

• Cyclohexanone, 2-fluoro-4-(phenylmethoxy)-, (2R,4R)-rel-
• rel-(2R,4R)-2-Fluoro-4-(phenylmethoxy)cyclohexanone