chempirical

1H,1H,2H,2H-Perfluorooctanesulfonic acid

C8H5F13O3SCAS 27619-97-2428.16 g/mol

Open in Covalent MOL file
OSOHOFFFFFFFFFFFFF
Alkyl halideSulfonic acid

Properties

Molecular formula
C8H5F13O3S
Molar mass
428.16 g/mol
Exact mass
427.9752 Da
logP
4.00Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
7

Identifiers

CAS number
27619-97-2
SMILES
O=S(=O)(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
VIONGDJUYAYOPU-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F13O3S/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H,22,23,24)

Weigh it out

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

Names and synonyms

11 names
  • 1-Octanesulfonic acid, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-
  • 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanesulfonic acid
  • 2-(Perfluorohexyl)ethane-1-sulfonic acid
  • 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanesulfonic acid
  • 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctane-1-sulfonic acid
  • 2-(Perfluorohexyl)ethanesulfonic acid
  • 1,1,2,2-Tetrahydroperfluorooctane sulfonic acid
  • THPFOS
  • 6:2 FTS
  • 6:2 Fluorotelomer sulfonic acid
  • 6:2 FTSA

Work with 1H,1H,2H,2H-Perfluorooctanesulfonic 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Perfluorohexyl)ethanol647-42-753 % similar (Perfluorooctyl)ethanol678-39-753 % similar 2-(Perfluorodecyl)ethanol865-86-153 % similar 2-(Perfluorobutyl)ethanol2043-47-250 % similar 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1-nonanol80806-68-450 % similar 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid34598-33-949 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iododecane2043-53-048 % similar 1-Iodo-1H,1H,2H,2H-perfluorododecane2043-54-148 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook