1H,1H,11H,11H-Perfluoro-3,6,9-trioxaundecane-1,11-diol

C8H6F12O5CAS 330562-44-2410.11 g/mol

Open in Covalent MOL file
OOOOHFFFFFFFFFFFFHO
AlcoholAlkyl halideEther

Properties

Molecular formula
C8H6F12O5
Molar mass
410.11 g/mol
Exact mass
410.0024 Da
logP
2.58Crippen estimate
Polar surface area
68.2 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
10

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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
330562-44-2
SMILES
C(C(OC(C(OC(C(OC(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChIKey
BFMDZOWJRVLYPB-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F12O5/c9-3(10,1-21)23-5(13,14)7(17,18)25-8(19,20)6(15,16)24-4(11,12)2-22/h21-22H,1-2H2

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Work with 1H,1H,11H,11H-Perfluoro-3,6,9-trioxaundecane-1,11-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,8H,8H-Perfluoro-3,6-dioxaoctane-1,8-diol129301-42-495 % similar Fluorinated triethylene glycol monomethyl ether147492-57-783 % similar 1H,1H-Perfluoro-3,6,9-trioxatridecan-1-ol317817-24-670 % similar 2,2,3,3-Tetrafluoro-1,4-butanediol425-61-641 % similar 2,2,3,3,4,4,5,5-Octafluorohexane-1,6-diol355-74-836 % similar 2,2,3,3,4,4-Hexafluoro-1,5-pentanediol376-90-936 % similar 2,2,3,3,3-Pentafluoropropanol422-05-936 % similar 2,2-Difluoropropane-1,3-diol428-63-735 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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