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

C₈H₄F₃NOSCAS 175203-89-1219.18 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

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

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

2-(2-Thienyl)pyridine3319-99-138 % similar 3-(2-Thienyl)-1H-pyrazole19933-24-538 % similar 2,2'-Bithiophene492-97-738 % similar Terthiophene1081-34-133 % similar 2-(4-Fluorophenyl)thiophene58861-48-633 % similar 2-Phenylthiophene825-55-832 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Isothiocyanato-2-(trifluoromethoxy)benzene175205-33-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook