chempirical

Nonafluorobutanesulfonic acid anhydride

C8F18O5S2CAS 36913-91-4582.17 g/mol

Open in Covalent MOL file
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Alkyl halide

Properties

Molecular formula
C8F18O5S2
Molar mass
582.17 g/mol
Exact mass
581.8900 Da
logP
4.51Crippen estimate
Polar surface area
77.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
8

Identifiers

CAS number
36913-91-4
SMILES
O=S(=O)(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
QKIHLPFZYGFMDK-UHFFFAOYSA-N
InChI
InChI=1S/C8F18O5S2/c9-1(10,5(17,18)19)3(13,14)7(23,24)32(27,28)31-33(29,30)8(25,26)4(15,16)2(11,12)6(20,21)22

Weigh it out

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

Names and synonyms

4 names
  • 1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, 1,1′-anhydride
  • 1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, anhydride
  • Nonafluorobutanesulfonic anhydride
  • Perfluorobutanesulfonic anhydride

Work with Nonafluorobutanesulfonic acid anhydride

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

Perfluorobutanesulfonyl fluoride375-72-454 % similar Perfluorooctanesulfonyl fluoride307-35-752 % similar Perfluorobutanesulfonic acid375-73-552 % similar 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonyl fluoride423-50-752 % similar Lithium nonafluorobutanesulfonate131651-65-552 % similar Potassium perfluorobutanesulfonate29420-49-352 % similar Perfluorooctanesulfonic acid1763-23-150 % similar Potassium perfluorooctanesulfonate2795-39-350 % similar

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

Elsewhere

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