chempirical

2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol

C6H6F8O2CAS 355-74-8262.10 g/mol

Open in Covalent MOL file
HOFFFFFFFFOH
AlcoholAlkyl halide

Properties

Molecular formula
C6H6F8O2
Molar mass
262.10 g/mol
Exact mass
262.0240 Da
Melting point
68 °C
Boiling point
118–120 °C (at 11 Torr)
logP
1.51Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5

Identifiers

CAS number
355-74-8
SMILES
OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CO
InChIKey
NHEKBXPLFJSSBZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H6F8O2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16/h15-16H,1-2H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 1,6-Hexanediol, 2,2,3,3,4,4,5,5-octafluoro-
  • 1,6-Dihydroxy-2,2,3,3,4,4,5,5-octafluorohexane
  • 2,2,3,3,4,4,5,5-Octafluorohexanediol
  • A 7412
  • C 6DI0L
  • 1H,1H,6H,6H-Perfluorohexane-1,6-diol

Work with 2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol

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

2,2,3,3,4,4,5,5,6,6,7,7,8,8-Tetradecafluoro-1,9-nonanediol203303-01-994 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1,10-decanediol754-96-194 % similar 2,2,3,3,4,4-Hexafluoro-1,5-pentanediol376-90-988 % similar 1H,1H-Perfluorooctanol307-30-275 % similar 1H,1H-Perfluoroundecan-1-ol307-46-075 % similar 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-heptanol375-82-675 % similar 2,2,3,3,4,4,4-Heptafluorobutanol375-01-974 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-Eicosafluoro-1-undecanol307-70-060 % similar

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

Elsewhere

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