chempirical

Ammonium perfluorooctylsulfonate

C8H4F17NO3SCAS 29081-56-9517.16 g/mol

Open in Covalent MOL file
NH3OSOOHFFFFFFFFFFFFFFFFF
Alkyl halideSulfonic acid

Properties

Molecular formula
C8H4F17NO3S
Molar mass
517.16 g/mol
Exact mass
516.9640 Da
logP
5.00Crippen estimate
Polar surface area
89.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
7

Identifiers

CAS number
29081-56-9
SMILES
N.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
UAWBWGUIUMQJIT-UHFFFAOYSA-N
InChI
InChI=1S/C8HF17O3S.H3N/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;/h(H,26,27,28);1H3

Weigh it out

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

Names and synonyms

8 names
  • 1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, ammonium salt (1:1)
  • 1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, ammonium salt
  • FC 93
  • Fluorad FC 93
  • Eftop EF 104
  • Perfluorooctanesulfonic acid, ammonium salt
  • EF 104
  • YF 93

Work with Ammonium perfluorooctylsulfonate

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

Perfluorooctanesulfonic acid1763-23-188 % similar Perfluorohexanesulfonic acid355-46-488 % similar Perfluoroheptanesulfonic acid375-92-888 % similar Perfluorobutanesulfonic acid375-73-585 % similar Perfluorooctanesulfonyl fluoride307-35-750 % similar 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonyl fluoride423-50-750 % similar Perfluorooctanesulfonamide754-91-648 % similar Perfluorobutanesulfonyl fluoride375-72-447 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook