chempirical

3,3,4,4,5,5,6,6-Octafluoro-1,8-octanediol

C8H10F8O2CAS 83192-87-4290.15 g/mol

Open in Covalent MOL file
HOOHFFFFFFFF
AlcoholAlkyl halide

Properties

Molecular formula
C8H10F8O2
Molar mass
290.15 g/mol
Exact mass
290.0553 Da
logP
2.29Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
83192-87-4
SMILES
C(CO)C(C(C(C(CCO)(F)F)(F)F)(F)F)(F)F
InChIKey
KZGBZVBYSNUWHN-UHFFFAOYSA-N
InChI
InChI=1S/C8H10F8O2/c9-5(10,1-3-17)7(13,14)8(15,16)6(11,12)2-4-18/h17-18H,1-4H2

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Names and synonyms

1 names
  • 3,3,4,4,5,5,6,6-Octafluorooctan-1,8-diol

Work with 3,3,4,4,5,5,6,6-Octafluoro-1,8-octanediol

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-(Perfluorobutyl)ethanol2043-47-281 % similar 2-(Perfluorohexyl)ethanol647-42-777 % similar (Perfluorooctyl)ethanol678-39-777 % similar 2-(Perfluorodecyl)ethanol865-86-177 % similar 1H,1H,2H,2H-Perfluoro-7-methyloctan-1-ol20015-46-768 % similar 2-(Perfluoro-7-methyloctyl)ethanol31200-98-368 % similar 3,3,4,4,5,6,6,6-Octafluoro-5-(trifluoromethyl)hexan-1-ol89076-11-967 % similar 4,4,5,5,6,6,7,7,7-Nonafluoro-1-heptanol83310-97-860 % similar

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

Elsewhere

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