1H,1H,8H,8H-Perfluoro-3,6-dioxaoctane-1,8-diol

C6H6F8O4CAS 129301-42-4294.10 g/mol

Open in Covalent MOL file
OOOHFFFFFFFFHO
AlcoholAlkyl halideEther

Properties

Molecular formula
C6H6F8O4
Molar mass
294.10 g/mol
Exact mass
294.0138 Da
logP
1.38Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
7

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
129301-42-4
SMILES
C(C(OC(C(OC(CO)(F)F)(F)F)(F)F)(F)F)O
InChIKey
CWIAFBQLWOMNFY-UHFFFAOYSA-N
InChI
InChI=1S/C6H6F8O4/c7-3(8,1-15)17-5(11,12)6(13,14)18-4(9,10)2-16/h15-16H,1-2H2

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Names and synonyms

1 names
  • 1H,1H,8H,8H-Octafluoro-3,6-dioxaoctane-1,8-diol

Work with 1H,1H,8H,8H-Perfluoro-3,6-dioxaoctane-1,8-diol

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

1H,1H,11H,11H-Perfluoro-3,6,9-trioxaundecane-1,11-diol330562-44-295 % similar Fluorinated triethylene glycol monomethyl ether147492-57-778 % similar 1H,1H-Perfluoro-3,6,9-trioxatridecan-1-ol317817-24-667 % similar 2,2,3,3-Tetrafluoro-1,4-butanediol425-61-643 % similar 2,2,3,3,4,4,5,5-Octafluorohexane-1,6-diol355-74-838 % similar 2,2,3,3,4,4-Hexafluoro-1,5-pentanediol376-90-938 % similar 2,2,3,3,3-Pentafluoropropanol422-05-938 % similar 2,2-Difluoropropane-1,3-diol428-63-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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