chempirical

2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-1,8-octanediol

C8H6F12O2CAS 90177-96-1362.11 g/mol

Open in Covalent MOL file
HOFFFFFFFFFFFFHO
AlcoholAlkyl halide

Properties

Molecular formula
C8H6F12O2
Molar mass
362.11 g/mol
Exact mass
362.0176 Da
logP
2.78Crippen 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
90177-96-1
SMILES
C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChIKey
XZJPYETUABEQFI-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F12O2/c9-3(10,1-21)5(13,14)7(17,18)8(19,20)6(15,16)4(11,12)2-22/h21-22H,1-2H2

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Names and synonyms

1 names
  • 1H,1H,8H,8H-Perfluorooctane-1,8-diol

Work with 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-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

1H,1H,12H,12H-Perfluoro-1,12-dodecanediol183162-43-8100 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8-Tetradecafluoro-1,9-nonanediol203303-01-9100 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1,10-decanediol754-96-1100 % similar 2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol355-74-894 % similar 2,2,3,3,4,4-Hexafluoro-1,5-pentanediol376-90-982 % similar 1H,1H-Perfluoro-1-tetradecanol15622-57-880 % similar 1H,1H-Perfluorooctanol307-30-280 % similar 1H,1H-Perfluoro-1-decanol307-37-980 % similar

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

Elsewhere

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