chempirical

Perfluorohexanesulfonic acid

C6HF13O3SCAS 355-46-4400.11 g/mol

Open in Covalent MOL file
OSOOHFFFFFFFFFFFFF
Alkyl halideSulfonic acid

Properties

Molecular formula
C6HF13O3S
Molar mass
400.11 g/mol
Exact mass
399.9439 Da
Boiling point
238.5 °C
logP
3.57Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
5

Identifiers

CAS number
355-46-4
SMILES
O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
QZHDEAJFRJCDMF-UHFFFAOYSA-N
InChI
InChI=1S/C6HF13O3S/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

8 names
  • 1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-
  • 1-Hexanesulfonic acid, tridecafluoro-
  • 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonic acid
  • Tridecafluorohexanesulfonic acid
  • 1-Perfluorohexanesulfonic acid
  • 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulfonic acid
  • PFHxS
  • Tridecafluorohexan-1-sulfonic acid

Work with Perfluorohexanesulfonic acid

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

Perfluorooctanesulfonic acid1763-23-1100 % similar Perfluoroheptanesulfonic acid375-92-8100 % similar Perfluorobutanesulfonic acid375-73-596 % similar Ammonium perfluorooctylsulfonate29081-56-988 % similar 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 Perfluorooctanesulfonamide754-91-653 % similar Perfluorobutanesulfonyl fluoride375-72-452 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia