chempirical

Perfluoroheptanesulfonic acid

C7HF15O3SCAS 375-92-8450.12 g/mol

Open in Covalent MOL file
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Alkyl halideSulfonic acid

Properties

Molecular formula
C7HF15O3S
Molar mass
450.12 g/mol
Exact mass
449.9407 Da
logP
4.21Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
6

Identifiers

CAS number
375-92-8
SMILES
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)F
InChIKey
OYGQVDSRYXATEL-UHFFFAOYSA-N
InChI
InChI=1S/C7HF15O3S/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)26(23,24)25/h(H,23,24,25)

Weigh it out

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

Names and synonyms

6 names
  • 1-Heptanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-
  • 1-Heptanesulfonic acid, pentadecafluoro-
  • 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-Pentadecafluoro-1-heptanesulfonic acid
  • 1-Perfluoroheptanesulfonic acid
  • 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-Pentadecafluoroheptane-1-sulfonic acid
  • PFHpS

Work with Perfluoroheptanesulfonic 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

Perfluorooctanesulfonic acid1763-23-1100 % similar Perfluorohexanesulfonic acid355-46-4100 % 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