chempirical

Potassium perfluorohexanesulfonate

C6F13KO3SCAS 3871-99-6438.20 g/mol

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Alkyl halideSulfonic acid

Properties

Molecular formula
C6F13KO3S
Molar mass
438.20 g/mol
Exact mass
437.8998 Da
logP
3.19Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
5

Identifiers

CAS number
3871-99-6
SMILES
[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+]
InChIKey
MYQVHPRJHDLQNH-UHFFFAOYSA-N
InChI
InChI=1S/C6HF13O3S.K/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22;/h(H,20,21,22);

Weigh it out

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

Names and synonyms

9 names
  • 1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, potassium salt (1:1)
  • 1-Hexanesulfonic acid, tridecafluoro-, potassium salt
  • 1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, potassium salt
  • Tridecafluorohexanesulfonic acid potassium salt
  • Potassium tridecafluorohexane-1-sulfonate
  • Potassium (perfluorohexyl)sulfonate
  • Potassium perfluoro-1-hexanesulfonate
  • Tridecafluorohexane-1-sulfonic acid potassium salt
  • Potassium tridecafluorohexan-1-sulfonate

Work with Potassium perfluorohexanesulfonate

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

Potassium perfluorooctanesulfonate2795-39-3100 % similar Potassium perfluorobutanesulfonate29420-49-396 % similar Lithium nonafluorobutanesulfonate131651-65-576 % similar Tetraethylammonium perfluorooctanesulfonate56773-42-366 % similar Triphenylsulfonium nonafluorobutanesulfonate144317-44-258 % similar Perfluorooctanesulfonyl fluoride307-35-750 % similar Nonafluorobutanesulfonic acid anhydride36913-91-450 % similar 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonyl fluoride423-50-750 % similar

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

Elsewhere

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