chempirical

Perfluorooctanesulfonamide

C8H2F17NO2SCAS 754-91-6499.14 g/mol

Open in Covalent MOL file
H2NSOOFFFFFFFFFFFFFFFFF
Alkyl halideSulfonamide

Properties

Molecular formula
C8H2F17NO2S
Molar mass
499.14 g/mol
Exact mass
498.9535 Da
Melting point
151–152 °C
logP
4.24Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
7

Identifiers

CAS number
754-91-6
SMILES
NS(=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
RRRXPPIDPYTNJG-UHFFFAOYSA-N
InChI
InChI=1S/C8H2F17NO2S/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(H2,26,27,28)

Weigh it out

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

Names and synonyms

9 names
  • 1-Octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-
  • 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonamide
  • Perfluorooctanesulfonic acid amide
  • Perfluoroctylsulfonamide
  • AI 3-29759
  • Desethylsulfluramid
  • Perfluorooctylsulfonamide
  • PFOSA
  • 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctan-1-sulfonamide

Work with Perfluorooctanesulfonamide

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

Perfluorooctanesulfonyl fluoride307-35-755 % similar 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonyl fluoride423-50-755 % similar Perfluorooctanesulfonic acid1763-23-153 % similar Perfluorohexanesulfonic acid355-46-453 % similar Perfluoroheptanesulfonic acid375-92-853 % similar Perfluorobutanesulfonyl fluoride375-72-452 % similar Nonafluorobutanesulfonic acid anhydride36913-91-450 % similar Perfluorobutanesulfonic acid375-73-550 % similar

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

Elsewhere

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