4-[2,5-Bis(2,2,2-trifluoroethoxy)phenyl]-1,2,3-thiadiazole

C₁₂H₈F₆N₂O₂SCAS 175205-47-7358.26 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₁₂H₈F₆N₂O₂S
Molar mass: 358.26 g/mol
Exact mass: 358.0211 Da
logP: 4.09Crippen estimate
Polar surface area: 44.2 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 5

Identifiers

CAS number

175205-47-7

SMILES

FC(F)(F)COc1ccc(OCC(F)(F)F)c(-c2csnn2)c1

InChIKey

BPUFTQZDWMUMQF-UHFFFAOYSA-N

InChI

InChI=1S/C12H8F6N2O2S/c13-11(14,15)5-21-7-1-2-10(22-6-12(16,17)18)8(3-7)9-4-23-20-19-9/h1-4H,5-6H2

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Names and synonyms

1 names

1,2,3-Thiadiazole, 4-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-

Work with 4-[2,5-Bis(2,2,2-trifluoroethoxy)phenyl]-1,2,3-thiadiazole

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

1,4-Bis(2,2,2-trifluoroethoxy)benzene66300-61-644 % similar 2,5-Bis(2,2,2-trifluoroethoxy)benzoic acid35480-52-543 % similar Flecainide54143-55-433 % similar 3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinemethanol103577-66-830 % similar 2-(Chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine128430-66-030 % similar

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

Elsewhere

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