3-(2-Thienyl)-5-(trifluoromethyl)isoxazole

C8H4F3NOSCAS 175203-89-1219.18 g/mol

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FFFSNO
Alkyl halide

Properties

Molecular formula
C8H4F3NOS
Molar mass
219.18 g/mol
Exact mass
218.9966 Da
Melting point
112–115 °C
logP
3.42Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
175203-89-1
SMILES
FC(F)(F)c1cc(-c2cccs2)no1
InChIKey
TUQUPXBKYCKHTB-UHFFFAOYSA-N
InChI
InChI=1S/C8H4F3NOS/c9-8(10,11)7-4-5(12-13-7)6-2-1-3-14-6/h1-4H

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Names and synonyms

3 names
  • Isoxazole, 3-(2-thienyl)-5-(trifluoromethyl)-
  • 3-Thiophen-2-yl-5-(trifluoromethyl)-1,2-oxazole
  • 3-(Thiophen-2-yl)-5-(trifluoromethyl)isoxazole

Work with 3-(2-Thienyl)-5-(trifluoromethyl)isoxazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-[5-(Trifluoromethyl)isoxazol-3-yl]thiophene-2-sulfonyl chloride229956-98-349 % similar 2-(2-Thienyl)pyridine3319-99-138 % similar 3-(2-Thienyl)-1H-pyrazole19933-24-538 % similar 2,2′-Bithiophene492-97-738 % similar 3-Cyano-6-(2-thienyl)-4-trifluoromethyl-2(1H)-pyridone22123-11-136 % similar 4-Thiophen-2-yl-thiazol-2-ylamine28989-50-636 % similar Terthiophene1081-34-133 % similar Alpha-quinquethiophene5660-45-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Isothiocyanato-2-(trifluoromethoxy)benzene175205-33-1 1-Isocyanato-4-[(trifluoromethyl)sulfanyl]benzene24032-84-6 4-(Trifluoromethoxy)phenyl isothiocyanate64285-95-6

Elsewhere

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