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CAS 736136-42-8

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rel-(1R,2R)-2-[2-(3-Fluorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid

Description:
Rel-(1R,2R)-2-[2-(3-Fluorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid is a chemical compound characterized by its specific stereochemistry and functional groups. It features a cyclohexane ring with a carboxylic acid group, which contributes to its acidity and potential reactivity. The presence of a 3-fluorophenyl group indicates that the compound may exhibit unique electronic properties due to the electronegative fluorine atom, which can influence its interactions in biological systems or chemical reactions. The oxoethyl substituent suggests that the compound may participate in various chemical transformations, including esterification or amide formation. Its stereochemical configuration (1R,2R) is crucial for its biological activity, as it may affect how the compound interacts with enzymes or receptors. Overall, this compound may have applications in medicinal chemistry or as a synthetic intermediate, but its specific properties, such as solubility, stability, and reactivity, would need to be evaluated through experimental studies.
Formula:C15H17FO3
InChI:InChI=1/C15H17FO3/c16-12-6-3-5-11(8-12)14(17)9-10-4-1-2-7-13(10)15(18)19/h3,5-6,8,10,13H,1-2,4,7,9H2,(H,18,19)/t10-,13-/s2
InChI key:InChIKey=HKQMYZIHQYRFEN-RLQDDWLSNA-N
SMILES:C(C(=O)C1=CC(F)=CC=C1)[C@H]2[C@@H](C(O)=O)CCCC2
Synonyms:
  • rel-(1R,2R)-2-[2-(3-Fluorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid
  • Cyclohexanecarboxylic acid, 2-[2-(3-fluorophenyl)-2-oxoethyl]-, (1R,2R)-rel-
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