chempirical

1-Ethyl-2,3-dimethylimidazolium bis(trifluoromethanesulfonyl)imide

C9H13F6N3O4S2CAS 174899-90-2405.33 g/mol

Open in Covalent MOL file
NN+FFFSOON−SOOFFF
Alkyl halide

Properties

Molecular formula
C9H13F6N3O4S2
Molar mass
405.33 g/mol
Exact mass
405.0252 Da
logP
1.70Crippen estimate
Polar surface area
91.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
174899-90-2
SMILES
CCN1C=C[N+](=C1C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIKey
XDJYSDBSJWNTQT-UHFFFAOYSA-N
InChI
InChI=1S/C7H13N2.C2F6NO4S2/c1-4-9-6-5-8(3)7(9)2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-6H,4H2,1-3H3;/q+1;-1

Weigh it out

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

Work with 1-Ethyl-2,3-dimethylimidazolium bis(trifluoromethanesulfonyl)imide

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

1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide169051-76-778 % similar 1-Ethyl-2,3-dimethylimidazolium bromide98892-76-357 % similar 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-82-253 % similar 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-83-344 % similar 1-(2-Hydroxyethyl)-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide174899-86-642 % similar 1-Butylpyridinium bis(trifluoromethylsulfonyl)imide187863-42-940 % similar Lithium bis(trifluoromethanesulfonyl)imide90076-65-636 % similar 1-Butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide223437-11-435 % similar

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

Elsewhere

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