4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-1,2-undecanediol

C₁₁H₇F₁₇O₂CAS 94159-84-9494.15 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₁₁H₇F₁₇O₂
Molar mass: 494.15 g/mol
Exact mass: 494.0175 Da
logP: 4.74Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 9

Identifiers

CAS number

94159-84-9

SMILES

OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

InChIKey

CGRIOEGIXRPCJU-UHFFFAOYSA-N

InChI

InChI=1S/C11H7F17O2/c12-4(13,1-3(30)2-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h3,29-30H,1-2H2

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

Names and synonyms

1 names

1,2-Undecanediol, 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-

Work with 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-1,2-undecanediol

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

4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononane-1,2-diol107650-06-6100 % 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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