1,1,2,2-Tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulphonyl fluoride

C₄F₉IO₃SCAS 66137-74-4425.99 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₄F₉IO₃S
Molar mass: 425.99 g/mol
Exact mass: 425.8469 Da
Boiling point: 127 °C
logP: 3.11Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

66137-74-4

SMILES

O=S(=O)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)I

InChIKey

XSLYISNQTJHKMP-UHFFFAOYSA-N

InChI

InChI=1S/C4F9IO3S/c5-1(6,14)2(7,8)17-3(9,10)4(11,12)18(13,15)16

Weigh it out

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

Names and synonyms

5 names

1,1,2,2-Tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonyl fluoride
Ethanesulfonyl fluoride, 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)-
2-(2-Iodotetrafluoroethoxy)tetrafluoroethanesulfonyl fluoride
2-(2-Iodo-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride
5-Iodo-octafluoropentyl-3-oxapentanesulfonyl fluoride

Work with 1,1,2,2-Tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulphonyl fluoride

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

2-[1-[Difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonyl fluoride16090-14-544 % similar Perfluorobutanesulfonyl fluoride375-72-438 % similar Perfluoro(2-ethoxyethane)sulfonic acid113507-82-738 % similar Perfluorooctanesulfonyl fluoride307-35-737 % similar 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonyl fluoride423-50-737 % similar Trifluoromethanesulfonyl fluoride335-05-733 % similar 2-Hydroxytetrafluoroethanesulfonic acid β-sultone697-18-733 % similar

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

Elsewhere

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