chempirical

4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1-nonanol

C9H7F13OCAS 80806-68-4378.13 g/mol

Open in Covalent MOL file
HOFFFFFFFFFFFFF
AlcoholAlkyl halide

Properties

Molecular formula
C9H7F13O
Molar mass
378.13 g/mol
Exact mass
378.0289 Da
Melting point
−6–3 °C
Boiling point
84–86 °C (at 20 Torr)
logP
4.50Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
7

Identifiers

CAS number
80806-68-4
SMILES
OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
HMGDEQANNRNNKX-UHFFFAOYSA-N
InChI
InChI=1S/C9H7F13O/c10-4(11,2-1-3-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h23H,1-3H2

Weigh it out

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

Names and synonyms

4 names
  • 1-Nonanol, 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-
  • 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoronon-1-ol
  • 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononan-1-ol
  • 3-(Perfluorohexyl)propanol

Work with 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1-nonanol

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-(Perfluorohexyl)ethanol647-42-777 % similar (Perfluorooctyl)ethanol678-39-777 % similar 2-(Perfluorobutyl)ethanol2043-47-273 % similar 4,4,5,5,5-Pentafluoro-1-pentanol148043-73-665 % similar 1H,1H-Perfluorooctanol307-30-257 % similar 1H,1H-Perfluoroundecan-1-ol307-46-057 % similar 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-heptanol375-82-657 % similar Perfluorohexyloctane133331-77-856 % similar

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

Elsewhere

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