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CAS 1404192-14-8

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4-[(1S,2S)-2-(Trifluoromethyl)cyclopropyl]benzoic acid

Description:
4-[(1S,2S)-2-(Trifluoromethyl)cyclopropyl]benzoic acid is an organic compound characterized by its unique structure, which includes a benzoic acid moiety and a cyclopropyl group substituted with a trifluoromethyl group. The presence of the trifluoromethyl group enhances the compound's lipophilicity and may influence its biological activity. The compound is likely to exhibit acidic properties due to the carboxylic acid functional group, which can donate a proton in solution. Its stereochemistry, indicated by the (1S,2S) configuration, suggests that it may have specific spatial arrangements that could affect its interactions with biological targets. This compound may be of interest in medicinal chemistry and materials science due to its potential applications in drug development or as a building block in organic synthesis. Additionally, the trifluoromethyl group is known to impart unique electronic properties, which can be advantageous in various chemical reactions. Overall, this compound represents a fascinating example of how structural features can influence chemical behavior and potential applications.
Formula:C11H9F3O2
InChI:InChI=1S/C11H9F3O2/c12-11(13,14)9-5-8(9)6-1-3-7(4-2-6)10(15)16/h1-4,8-9H,5H2,(H,15,16)/t8-,9+/m1/s1
InChI key:InChIKey=GUEFLVRUHWYHTO-BDAKNGLRSA-N
SMILES:C(F)(F)(F)[C@@H]1[C@H](C1)C2=CC=C(C(O)=O)C=C2
Synonyms:
  • 4-[(1S,2S)-2-(Trifluoromethyl)cyclopropyl]benzoic acid
  • Benzoic acid, 4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]-
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