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

C2H4F3NO2SCAS 34310-29-7163.11 g/mol

Open in Covalent MOL file
NHSOOFFF
Alkyl halideSulfonamide

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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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