1-Butylpyridinium bis(trifluoromethylsulfonyl)imide

C₁₁H₁₄F₆N₂O₄S₂CAS 187863-42-9416.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₄F₆N₂O₄S₂
Molar mass: 416.35 g/mol
Exact mass: 416.0299 Da
logP: 2.83Crippen estimate
Polar surface area: 86.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 5

Identifiers

CAS number

187863-42-9

SMILES

CCCC[N+]1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

InChIKey

XHIHMDHAPXMAQK-UHFFFAOYSA-N

InChI

InChI=1S/C9H14N.C2F6NO4S2/c1-2-3-7-10-8-5-4-6-9-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-6,8-9H,2-3,7H2,1H3;/q+1;-1

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Names and synonyms

1 names

1-Butylpyridinium Bis(trifluoromethanesulfonyl)imide

Work with 1-Butylpyridinium 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

Similar compounds

1-Butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide223437-11-451 % similar 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-83-351 % similar Dodecylpyridinium bromide104-73-445 % similar Cetylpyridinium chloride123-03-545 % similar Cetylpyridinium bromide140-72-745 % similar Octylpyridinium bromide2534-66-945 % similar Tetradecylpyridinium chloride2785-54-845 % similar 1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide169051-76-744 % similar

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

Elsewhere

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