chempirical

1-Decyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide

C16H27F6N3O4S2CAS 433337-23-6503.52 g/mol

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NN+FFFSOON−SOOFFF
Alkyl halide

Properties

Molecular formula
C16H27F6N3O4S2
Molar mass
503.52 g/mol
Exact mass
503.1347 Da
logP
4.51Crippen estimate
Polar surface area
91.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
11

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
433337-23-6
SMILES
CCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIKey
ZYVGZWFCGPUVSH-UHFFFAOYSA-N
InChI
InChI=1S/C14H27N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h12-14H,3-11H2,1-2H3;/q+1;-1

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Names and synonyms

1 names
  • 1-Decyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide

Work with 1-Decyl-3-methylimidazolium 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

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-Decyl-3-methylimidazolium chloride171058-18-7Salt 1-(2-Hydroxyethyl)-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide174899-86-6Salt 1-Allyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide655249-87-9Salt 1-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide350493-08-2Salt 1-Butylpyridinium bis(trifluoromethylsulfonyl)imide187863-42-9Salt Potassium bis(trifluoromethanesulfonly)imide90076-67-8Salt

Similar compounds

1-Hexyl-3-methylimidazolium trifluoromethanesulfonate460345-16-871 % similar 1-Butyl-3-methylimidazolium trifluoromethanesulfonate174899-66-264 % similar 1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride114569-84-560 % similar 1-Hexadecyl-3-methylimidazolium bromide132361-22-960 % similar 1-Hexyl-3-methylimidazolium chloride171058-17-660 % similar 1-Tetradecyl-3-methylimidazolium bromide471907-87-660 % similar 1-Methyl-3-N-octylimidazolium bromide61545-99-160 % similar 1-Octyl-3-methylimidazolium chloride64697-40-160 % similar

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

Elsewhere

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