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CAS 625120-14-1

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5-(Trifluoromethyl)-3-isoxazolecarboxylic acid

Description:
5-(Trifluoromethyl)-3-isoxazolecarboxylic acid is a chemical compound characterized by its isoxazole ring structure, which features a five-membered heterocyclic framework containing both nitrogen and oxygen atoms. The presence of a trifluoromethyl group (-CF3) significantly influences its chemical properties, enhancing its lipophilicity and potentially affecting its reactivity and biological activity. This compound is typically a solid at room temperature and exhibits acidic properties due to the carboxylic acid functional group (-COOH) attached to the isoxazole ring. Its unique structure makes it of interest in various fields, including medicinal chemistry and agrochemicals, where it may serve as a building block for the synthesis of more complex molecules. Additionally, the trifluoromethyl group can impart desirable characteristics such as increased metabolic stability and improved pharmacokinetic profiles in drug development. Overall, 5-(Trifluoromethyl)-3-isoxazolecarboxylic acid is a versatile compound with potential applications in research and industry.
Formula:C5H2F3NO3
InChI:InChI=1S/C5H2F3NO3/c6-5(7,8)3-1-2(4(10)11)9-12-3/h1H,(H,10,11)
InChI key:InChIKey=GOSXXFNPBKFTNN-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=CC(C(O)=O)=NO1
Synonyms:
  • 3-Isoxazolecarboxylic acid, 5-(trifluoromethyl)-
  • 5-(Trifluoromethyl)-1,2-oxazole-3-carboxylic acid
  • 5-(Trifluoromethyl)-3-isoxazolecarboxylic acid
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