Fluorinated triethylene glycol monomethyl ether

C₇H₃F₁₃O₄CAS 147492-57-7398.08 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Ether

Properties

Molecular formula: C₇H₃F₁₃O₄
Molar mass: 398.08 g/mol
Exact mass: 397.9824 Da
logP: 3.51Crippen estimate
Polar surface area: 47.9 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 8

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

147492-57-7

SMILES

C(C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O

InChIKey

PGUFRYZQAPBGDW-UHFFFAOYSA-N

InChI

InChI=1S/C7H3F13O4/c8-2(9,1-21)22-3(10,11)4(12,13)23-5(14,15)6(16,17)24-7(18,19)20/h21H,1H2

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Names and synonyms

1 names

1H,1H-Tridecafluoro-3,6,9-trioxadecan-1-ol

Work with Fluorinated triethylene glycol monomethyl ether

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-diol330562-44-283 % similar 1H,1H,8H,8H-Perfluoro-3,6-dioxaoctane-1,8-diol129301-42-478 % similar 1H,1H-Perfluoro-3,6,9-trioxatridecan-1-ol317817-24-661 % similar 2,2,3,3-Tetrafluoro-1,4-butanediol425-61-635 % similar 2,2,3,3,4,4,5,5-Octafluorohexane-1,6-diol355-74-831 % similar 2,2,3,3,4,4-Hexafluoro-1,5-pentanediol376-90-931 % similar 2,2,3,3,3-Pentafluoropropanol422-05-931 % similar 1H,1H,12H,12H-Perfluoro-1,12-dodecanediol183162-43-830 % similar

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

Elsewhere

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