4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononane-1,2-diol

C₉H₇F₁₃O₂CAS 107650-06-6394.13 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₉H₇F₁₃O₂
Molar mass: 394.13 g/mol
Exact mass: 394.0238 Da
logP: 3.47Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 7

Identifiers

CAS number

107650-06-6

SMILES

C(C(CO)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChIKey

DAHZCNRVTNHGGR-UHFFFAOYSA-N

InChI

InChI=1S/C9H7F13O2/c10-4(11,1-3(24)2-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3,23-24H,1-2H2

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

Names and synonyms

1 names

1H,1H,2H,3H,3H-Perfluorononane-1,2-diol

Work with 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononane-1,2-diol

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

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-1,2-undecanediol94159-84-9100 % similar 1H,1H-Perfluorooctanol307-30-252 % similar 1H,1H-Perfluoroundecan-1-ol307-46-052 % similar 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-heptanol375-82-652 % similar 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-2-hydroxynonyl acrylate127377-12-250 % similar 2-(2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptyl)oxirane38565-52-550 % similar 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)oxirane38565-53-650 % similar 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heneicosafluoroundecyl)oxirane38565-54-750 % similar

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

Elsewhere

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