chempirical

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1,10-decanediol

C10H6F16O2CAS 754-96-1462.13 g/mol

Open in Covalent MOL file
HOFFFFFFFFFFFFFFFFOH
AlcoholAlkyl halide

Properties

Molecular formula
C10H6F16O2
Molar mass
462.13 g/mol
Exact mass
462.0112 Da
Melting point
135–136 °C
Boiling point
132 °C (at 4 Torr)
logP
4.05Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
9

Identifiers

CAS number
754-96-1
SMILES
OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO
InChIKey
NSKCTPBWPZPFHW-UHFFFAOYSA-N
InChI
InChI=1S/C10H6F16O2/c11-3(12,1-27)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)2-28/h27-28H,1-2H2

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

Names and synonyms

3 names
  • 1,10-Decanediol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-
  • 1,8-Dimethylol perfluorooctane
  • 1H,1H,10H,10H-Perfluoro-1,10-decanediol

Work with 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1,10-decanediol

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-nonanediol203303-01-9100 % 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-Perfluorooctanol307-30-280 % similar 1H,1H-Perfluoroundecan-1-ol307-46-080 % similar 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-heptanol375-82-680 % similar 2,2,3,3,4,4,4-Heptafluorobutanol375-01-970 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-Eicosafluoro-1-undecanol307-70-064 % similar

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

Elsewhere

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