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

C₆H₆F₈O₄CAS 129301-42-4294.10 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Ether

Properties

Molecular formula: C₆H₆F₈O₄
Molar mass: 294.10 g/mol
Exact mass: 294.0138 Da
logP: 1.38Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 7

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

2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol355-74-838 % similar 2,2,3,3,4,4-Hexafluoro-1,5-pentanediol376-90-938 % similar 2,2,3,3,3-Pentafluoropropanol422-05-938 % similar 2,2,2-Trifluoroethanol75-89-836 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8-Tetradecafluoro-1,9-nonanediol203303-01-936 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1,10-decanediol754-96-136 % similar 2,2,3,3,4,4,4-Heptafluorobutanol375-01-933 % similar 2,2-Difluoro-1-propanol33420-52-932 % similar

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

Elsewhere

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