chempirical

Tetraethylammonium perfluorooctanesulfonate

C16H20F17NO3SCAS 56773-42-3629.37 g/mol

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Alkyl halideQuaternary ammoniumSulfonic acid

Properties

Molecular formula
C16H20F17NO3S
Molar mass
629.37 g/mol
Exact mass
629.0892 Da
logP
6.38Crippen estimate
Polar surface area
57.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
11

Identifiers

CAS number
56773-42-3
SMILES
CC[N+](CC)(CC)CC.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
JHDXAQHGAJXNBY-UHFFFAOYSA-M
InChI
InChI=1S/C8HF17O3S.C8H20N/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;1-5-9(6-2,7-3)8-4/h(H,26,27,28);5-8H2,1-4H3/q;+1/p-1

Weigh it out

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

Names and synonyms

14 names · show all
  • Ethanaminium, N,N,N-triethyl-, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonate (1:1)
  • Ethanaminium, N,N,N-triethyl-, salt with 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonic acid (1:1)
  • 1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, ion(1-), N,N,N-triethylethanaminium
  • Fluortensid FT 248
  • Tetraethylammonium heptadecafluorooctanesulfonate
  • Tetraethylammonium perfluorooctylsulfonate
  • Tetraethylammonium n-perfluorooctanesulfonate
  • Perfluorooctanesulfonic acid, tetraethylammonium salt
  • Tetraethylammonium perfluoro-1-octanesulfonate
  • FT 248
  • Bayowet 248
  • Bayowet FT 448
  • Ankor F
  • Bayowet FT 248

Work with Tetraethylammonium perfluorooctanesulfonate

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 perfluorooctanesulfonate2795-39-366 % similar Potassium perfluorohexanesulfonate3871-99-666 % similar Lithium nonafluorobutanesulfonate131651-65-563 % similar Potassium perfluorobutanesulfonate29420-49-363 % similar Tetraethylammonium trifluoromethanesulfonate35895-69-356 % similar Triphenylsulfonium nonafluorobutanesulfonate144317-44-250 % similar Sulfluramid4151-50-246 % similar Perfluorooctanesulfonyl fluoride307-35-742 % similar

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

Elsewhere

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