CAS 206055-88-1

3-[4-(Trifluoromethyl)phenyl]-5-isoxazolemethanol

Description:

3-[4-(Trifluoromethyl)phenyl]-5-isoxazolemethanol, identified by its CAS number 206055-88-1, is a chemical compound characterized by its isoxazole ring structure, which is a five-membered heterocyclic compound containing both nitrogen and oxygen. The presence of a trifluoromethyl group (-CF3) on the phenyl ring significantly influences its chemical properties, enhancing lipophilicity and potentially affecting its biological activity. This compound is likely to exhibit polar characteristics due to the hydroxymethyl (-CH2OH) group, which can participate in hydrogen bonding. The trifluoromethyl group is known for imparting unique electronic properties, making the compound of interest in various fields, including medicinal chemistry and materials science. Its specific reactivity and interactions would depend on the functional groups present and the overall molecular structure, which can influence solubility, stability, and potential applications in pharmaceuticals or agrochemicals. Further studies would be necessary to elucidate its complete profile, including its synthesis, reactivity, and potential uses.

Formula: C₁₁H₈F₃NO₂

InChI: InChI=1S/C11H8F3NO2/c12-11(13,14)8-3-1-7(2-4-8)10-5-9(6-16)17-15-10/h1-5,16H,6H2

InChI key: InChIKey=JKPFITBIBNAIPT-UHFFFAOYSA-N

SMILES: C(O)C1=CC(=NO1)C2=CC=C(C(F)(F)F)C=C2

Synonyms:

• 5-Isoxazolemethanol, 3-[4-(trifluoromethyl)phenyl]-
• [3-[4-(Trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methanol
• 3-[4-(Trifluoromethyl)phenyl]-5-isoxazolemethanol
• [3-(4-Trifluoromethylphenyl)isoxazol-5-yl]methanol