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

Alcohol Alkyl 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 7

Hazards

Warning

H226 Flammable liquid and vapor33.3% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

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

3-(Perfluorooctyl)propanol1651-41-8100 % similar 4,4,5,5,6,6,7,7,7-Nonafluoro-1-heptanol83310-97-896 % similar 3-(Perfluoropropyl)propanol679-02-784 % similar 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol647-42-777 % similar 1,1,2,2-Tetrahydroperfluoro-1-decanol678-39-777 % similar 2-(Perfluorodecyl)ethanol865-86-177 % similar 2-(Perfluorobutyl)ethanol2043-47-273 % similar 4,4,5,5,5-Pentafluoro-1-pentanol148043-73-665 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook