chempirical

Perfluoro(2-ethoxyethane)sulfonic acid

C4HF9O4SCAS 113507-82-7316.09 g/mol

Open in Covalent MOL file
FFFOFFSOOOHFFFF
Alkyl halideEtherSulfonic acid

Properties

Molecular formula
C4HF9O4S
Molar mass
316.09 g/mol
Exact mass
315.9452 Da
logP
2.23Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
113507-82-7
SMILES
C(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F
InChIKey
RJGUAQKOHAABLK-UHFFFAOYSA-N
InChI
InChI=1S/C4HF9O4S/c5-1(6,7)2(8,9)17-3(10,11)4(12,13)18(14,15)16/h(H,14,15,16)

Weigh it out

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

Work with Perfluoro(2-ethoxyethane)sulfonic 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

Perfluorobutanesulfonic acid375-73-552 % similar Perfluorooctanesulfonic acid1763-23-150 % similar Perfluorohexanesulfonic acid355-46-450 % similar Perfluoroheptanesulfonic acid375-92-850 % similar Ammonium perfluorooctylsulfonate29081-56-946 % similar Triflic acid1493-13-638 % similar 1,1,2,2-Tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonyl fluoride66137-74-438 % similar 2-Hydroxytetrafluoroethanesulfonic acid β-sultone697-18-734 % similar

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

Elsewhere

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