chempirical

1-Allyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide

C9H11F6N3O4S2CAS 655249-87-9403.31 g/mol

Open in Covalent MOL file
N+NFFFSOON−SOOFFF
AlkeneAlkyl halide

Properties

Molecular formula
C9H11F6N3O4S2
Molar mass
403.31 g/mol
Exact mass
403.0095 Da
logP
1.56Crippen estimate
Polar surface area
91.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

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
655249-87-9
SMILES
C[N+]1=CN(C=C1)CC=C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIKey
DHMWATGUEVQTIY-UHFFFAOYSA-N
InChI
InChI=1S/C7H11N2.C2F6NO4S2/c1-3-4-9-6-5-8(2)7-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3,5-7H,1,4H2,2H3;/q+1;-1

Weigh it out

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

Names and synonyms

1 names
  • Amimntf2

Work with 1-Allyl-3-methylimidazolium bis(trifluoromethylsulfonyl)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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Bistriflimide82113-65-3Free acid Lithium bis(trifluoromethanesulfonyl)imide90076-65-6Salt 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-83-3Salt 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-82-2Salt 1-Butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide223437-11-4Salt 1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide169051-76-7Salt 1-(2-Hydroxyethyl)-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide174899-86-6Salt 1-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide350493-08-2Salt 1-Butylpyridinium bis(trifluoromethylsulfonyl)imide187863-42-9Salt 1-Decyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide433337-23-6Salt Sliver bis(trifluoromethane sulfonimide)189114-61-2Salt 1-Allyl-3-methylimidazolium bromide31410-07-8Salt

Similar compounds

1-Ethyl-3-methylimidazolium trifluoromethanesulfonate145022-44-247 % similar 1-Butyl-3-methylimidazolium trifluoromethanesulfonate174899-66-244 % similar 1-Hexyl-3-methylimidazolium trifluoromethanesulfonate460345-16-842 % similar 1-Ethyl-3-methylimidazolium trifluoroacetate174899-65-136 % similar 1-Ethyl-3-methylimidazolium tetrafluoroborate143314-16-335 % similar 1-Ethyl-3-methylimidazolium hexafluorophosphate155371-19-035 % similar 1-Methylimidazole ethiodide35935-34-334 % similar 1-Ethyl-3-methylimidazolium bromide65039-08-934 % similar

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

Elsewhere

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