1-[(Trifluoromethyl)sulfonyl]-1H-imidazole

C₄H₃F₃N₂O₂SCAS 29540-81-6200.14 g/mol

Open in Covalent MOL file

Halogen Sulfone

Properties

Molecular formula: C₄H₃F₃N₂O₂S
Molar mass: 200.14 g/mol
Exact mass: 199.9867 Da
logP: 0.58Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

29540-81-6

SMILES

O=S(=O)(n1ccnc1)C(F)(F)F

InChIKey

YGABUCCNCBMODG-UHFFFAOYSA-N

InChI

InChI=1S/C4H3F3N2O2S/c5-4(6,7)12(10,11)9-2-1-8-3-9/h1-3H

Weigh it out

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

Names and synonyms

8 names

1H-Imidazole, 1-[(trifluoromethyl)sulfonyl]-
Imidazole, 1-[(trifluoromethyl)sulfonyl]-
N-Trifluoromethanesulfonylimidazole
NSC 114260
NSC 270680
1-(Trifluoromethanesulfonyl)imidazole
1-Trifluoromethanesulfonyl-1H-imidazole
1-(Trifluoromethylsulfonyl)imidazole

Work with 1-[(Trifluoromethyl)sulfonyl]-1H-imidazole

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

Elsewhere

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