1,1,1-Trifluoro-N-methyl-methanesulfonamide

C₂H₄F₃NO₂SCAS 34310-29-7163.11 g/mol

Open in Covalent MOL file

Alkyl halide Sulfonamide

Properties

Molecular formula: C₂H₄F₃NO₂S
Molar mass: 163.11 g/mol
Exact mass: 162.9915 Da
logP: 0.06Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

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

Identifiers

CAS number

34310-29-7

SMILES

CNS(=O)(=O)C(F)(F)F

InChIKey

IJOCNCZJDBTBIP-UHFFFAOYSA-N

InChI

InChI=1S/C2H4F3NO2S/c1-6-9(7,8)2(3,4)5/h6H,1H3

Weigh it out

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

Names and synonyms

1 names

N-Methyltrifluoromethanesulfonamide

Work with 1,1,1-Trifluoro-N-methyl-methanesulfonamide

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

Bistriflimide82113-65-357 % similar 1,1,1-Trifluoro-N-(phenylmethyl)methanesulfonamide36457-58-636 % similar N-Methylmethanesulfonamide1184-85-633 % similar Scandium(III) trifluoromethanesulfonate144026-79-933 % similar Sliver bis(trifluoromethane sulfonimide)189114-61-233 % similar Methyl trifluoromethanesulfonate333-27-733 % similar Trifluoromethanesulfonyl fluoride335-05-733 % similar Lithium bis(trifluoromethanesulfonyl)imide90076-65-633 % similar

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

Elsewhere

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