Perfluorooctanesulfonamide

C₈H₂F₁₇NO₂SCAS 754-91-6499.14 g/mol

Open in Covalent MOL file

Alkyl halide Sulfonamide

Properties

Molecular formula: C₈H₂F₁₇NO₂S
Molar mass: 499.14 g/mol
Exact mass: 498.9535 Da
Melting point: 151–152 °C
logP: 4.24Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 7

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers
H400 Very toxic to aquatic life33.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

754-91-6

SMILES

NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

InChIKey

RRRXPPIDPYTNJG-UHFFFAOYSA-N

InChI

InChI=1S/C8H2F17NO2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H2,26,27,28)

Weigh it out

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

Names and synonyms

9 names

1-Octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonamide
Perfluorooctanesulfonic acid amide
Perfluoroctylsulfonamide
AI 3-29759
Desethylsulfluramid
Perfluorooctylsulfonamide
PFOSA
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctan-1-sulfonamide

Work with Perfluorooctanesulfonamide

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

Perfluorooctanesulfonyl fluoride307-35-755 % similar 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonyl fluoride423-50-755 % similar Perfluorooctanesulfonic acid1763-23-153 % similar Perfluorohexanesulfonic acid355-46-453 % similar Perfluoroheptanesulfonic acid375-92-853 % similar Perfluorobutanesulfonyl fluoride375-72-452 % similar 1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl chloride2991-84-650 % similar Nonafluorobutanesulfonic acid anhydride36913-91-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia