Perfluoro(2-ethoxyethane)sulfonic acid

C₄HF₉O₄SCAS 113507-82-7316.09 g/mol

Open in Covalent MOL file

Alkyl halide Ether Sulfonic 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

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)ethanesulphonyl 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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