1H,1H,2H,2H-Perfluorooctanesulfonic acid

C₈H₅F₁₃O₃SCAS 27619-97-2428.16 g/mol

Open in Covalent MOL file

Alkyl halide Sulfonic acid

Properties

Molecular formula: C₈H₅F₁₃O₃S
Molar mass: 428.16 g/mol
Exact mass: 427.9752 Da
logP: 4.00Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 7

Hazards

Danger

H302 Harmful if swallowed60% of notifiers
H314 Causes severe skin burns and eye damage86.9% of notifiers
H318 Causes serious eye damage97.9% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure45.5% of notifiers

Aggregated from 145 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P405, P501

Identifiers

CAS number

27619-97-2

SMILES

O=S(=O)(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

InChIKey

VIONGDJUYAYOPU-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F13O3S/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H,22,23,24)

Weigh it out

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

Names and synonyms

11 names

1-Octanesulfonic acid, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanesulfonic acid
2-(Perfluorohexyl)ethane-1-sulfonic acid
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanesulfonic acid
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctane-1-sulfonic acid
2-(Perfluorohexyl)ethanesulfonic acid
1,1,2,2-Tetrahydroperfluorooctane sulfonic acid
THPFOS
6:2 FTS
6:2 Fluorotelomer sulfonic acid
6:2 FTSA

Work with 1H,1H,2H,2H-Perfluorooctanesulfonic 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

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol647-42-753 % similar 1,1,2,2-Tetrahydroperfluoro-1-decanol678-39-753 % similar 2-(Perfluorodecyl)ethanol865-86-153 % similar 3-(Perfluorooctyl)propanol1651-41-850 % similar 2-(Perfluorobutyl)ethanol2043-47-250 % similar 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1-nonanol80806-68-450 % similar 2H,2H,3H,3H-Perfluorononanoic acid27854-30-449 % similar 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid34598-33-949 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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