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CAS 147700-58-1

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trans-3,5-difluorocinnamic acid

Description:
Trans-3,5-difluorocinnamic acid is an organic compound characterized by its structure, which features a trans configuration of the double bond between the carbon atoms in the cinnamic acid backbone. This compound contains two fluorine atoms substituted at the 3 and 5 positions of the aromatic ring, which significantly influences its chemical properties and reactivity. It is typically a white to off-white solid at room temperature and is sparingly soluble in water but more soluble in organic solvents such as ethanol and acetone. The presence of fluorine atoms enhances its lipophilicity and can affect its biological activity, making it of interest in medicinal chemistry and material science. Trans-3,5-difluorocinnamic acid may exhibit unique optical properties due to its conjugated system, and its derivatives can be explored for applications in pharmaceuticals, agrochemicals, and as intermediates in organic synthesis. As with many fluorinated compounds, it is essential to handle it with care, considering potential environmental and health impacts.
Formula:C9H6F2O2
InChI:InChI=1S/C9H6F2O2/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h1-5H,(H,12,13)/b2-1+
InChI key:MBAWRXICVNIUGY-OWOJBTEDSA-N
SMILES:C1=C(C=C(C=C1F)F)/C=C/C(=O)O
Synonyms:
  • (2E)-3-(3,5-difluorophenyl)prop-2-enoic acid
  • (2E)-3-(3,5-difluorophenyl)prop-2-enoate
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