chempirical

2,2,3,3,4,4,5,5,6,6,7,7,8,8-Tetradecafluoro-1,9-nonanediol

C9H6F14O2CAS 203303-01-9412.12 g/mol

Open in Covalent MOL file
HOFFFFFFFFFFFFFFOH
AlcoholAlkyl halide

Properties

Molecular formula
C9H6F14O2
Molar mass
412.12 g/mol
Exact mass
412.0144 Da
logP
3.42Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
8

Identifiers

CAS number
203303-01-9
SMILES
OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO
InChIKey
XQULMKMNFZLURS-UHFFFAOYSA-N
InChI
InChI=1S/C9H6F14O2/c10-3(11,1-24)5(14,15)7(18,19)9(22,23)8(20,21)6(16,17)4(12,13)2-25/h24-25H,1-2H2

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

Names and synonyms

1 names
  • 1,9-Nonanediol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-

Work with 2,2,3,3,4,4,5,5,6,6,7,7,8,8-Tetradecafluoro-1,9-nonanediol

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

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-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-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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