chempirical

2-Hydroxytetrafluoroethanesulfonic acid β-sultone

C2F4O3SCAS 697-18-7180.07 g/mol

Open in Covalent MOL file
OSOOFFFF
Alkyl halideSulfonate ester

Properties

Molecular formula
C2F4O3S
Molar mass
180.07 g/mol
Exact mass
179.9504 Da
Density
1.6219 g/mL (at 20 °C)
Melting point
−35 °C
Boiling point
42 °C
logP
0.53Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
697-18-7
SMILES
O=S1(=O)OC(F)(F)C1(F)F
InChIKey
ZMSRCMWBEGLBAI-UHFFFAOYSA-N
InChI
InChI=1S/C2F4O3S/c3-1(4)2(5,6)10(7,8)9-1

Weigh it out

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

Names and synonyms

5 names
  • 1,2-Oxathietane, 3,3,4,4-tetrafluoro-, 2,2-dioxide
  • Ethanesulfonic acid, 1,1,2,2-tetrafluoro-2-hydroxy-, β-sultone
  • Tetrafluoroethane-β-sultone
  • Tetrafluoroethanesultone
  • 3,3,4,4-Tetrafluoro-1,2-oxathietane-2,2-dioxide

Work with 2-Hydroxytetrafluoroethanesulfonic acid β-sultone

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

3-(Trifluoromethyl)-3,4,4-trifluoro-1-oxa-2-thiacyclobutane 2,2-dioxide773-15-950 % similar Nonafluorobutanesulfonic acid anhydride36913-91-438 % similar Trifluoromethanesulfonic anhydride358-23-638 % similar Perfluoro(2-ethoxyethane)sulfonic acid113507-82-734 % similar Methyl trifluoromethanesulfonate333-27-733 % similar 1,1,2,2-Tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonyl fluoride66137-74-433 % similar Trimethylsilyl trifluoromethanesulfonate27607-77-830 % similar Ethyl 1,1,1-trifluoromethanesulfonate425-75-230 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook