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CAS 1404192-15-9

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3-[(1S,2S)-2-(Trifluoromethyl)cyclopropyl]benzoic acid

Description:
3-[(1S,2S)-2-(Trifluoromethyl)cyclopropyl]benzoic acid is a chemical compound characterized by its unique structural features, which include a benzoic acid moiety and a cyclopropyl group substituted with a trifluoromethyl group. The presence of the trifluoromethyl group significantly influences the compound's electronic properties, enhancing its lipophilicity and potentially affecting its reactivity and interaction with biological systems. The stereochemistry indicated by (1S,2S) suggests specific spatial arrangements of atoms, which can impact the compound's physical and chemical properties, such as melting point, boiling point, and solubility. This compound may exhibit interesting pharmacological activities due to its structural characteristics, making it a subject of interest in medicinal chemistry. Additionally, the presence of fluorine atoms often contributes to increased metabolic stability and bioavailability in drug design. Overall, the combination of its functional groups and stereochemistry makes 3-[(1S,2S)-2-(Trifluoromethyl)cyclopropyl]benzoic acid a noteworthy compound for further research and application in various fields, including pharmaceuticals and agrochemicals.
Formula:C11H9F3O2
InChI:InChI=1S/C11H9F3O2/c12-11(13,14)9-5-8(9)6-2-1-3-7(4-6)10(15)16/h1-4,8-9H,5H2,(H,15,16)/t8-,9+/m1/s1
InChI key:InChIKey=JHNAFWBNDGHSLP-BDAKNGLRSA-N
SMILES:C(F)(F)(F)[C@@H]1[C@H](C1)C2=CC(C(O)=O)=CC=C2
Synonyms:
  • 3-[(1S,2S)-2-(Trifluoromethyl)cyclopropyl]benzoic acid
  • Benzoic acid, 3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]-
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