chempirical

1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonyl fluoride

C6F14O2SCAS 423-50-7402.10 g/mol

Open in Covalent MOL file
OSOFFFFFFFFFFFFFF
Alkyl halide

Properties

Molecular formula
C6F14O2S
Molar mass
402.10 g/mol
Exact mass
401.9395 Da
Boiling point
114–115 °C
logP
3.98Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
423-50-7
SMILES
O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
HSDJWNJDPDJOEV-UHFFFAOYSA-N
InChI
InChI=1S/C6F14O2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22

Weigh it out

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

Names and synonyms

7 names
  • 1-Hexanesulfonyl fluoride, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-
  • 1-Hexanesulfonyl fluoride, tridecafluoro-
  • Perfluorohexylsulfonyl fluoride
  • Perfluorohexanesulfonyl fluoride
  • Perfluoro-1-hexanesulfonyl fluoride
  • Tridecafluorohexanesulfonyl fluoride
  • 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulfonyl fluoride

Work with 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonyl fluoride

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Perfluorooctanesulfonyl fluoride307-35-7100 % similar Perfluorobutanesulfonyl fluoride375-72-495 % similar Perfluorooctanesulfonic acid1763-23-155 % similar Perfluorohexanesulfonic acid355-46-455 % similar Perfluoroheptanesulfonic acid375-92-855 % similar Perfluorooctanesulfonamide754-91-655 % similar Nonafluorobutanesulfonic acid anhydride36913-91-452 % similar Perfluorobutanesulfonic acid375-73-552 % similar

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

Elsewhere

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