4,4,5,5,6,6,7,7,7-Nonafluoro-1-heptanol

C₇H₇F₉OCAS 83310-97-8278.12 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₇H₇F₉O
Molar mass: 278.12 g/mol
Exact mass: 278.0353 Da
logP: 3.23Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

83310-97-8

SMILES

C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CO

InChIKey

OVBNEUIFHDEQHD-UHFFFAOYSA-N

InChI

InChI=1S/C7H7F9O/c8-4(9,2-1-3-17)5(10,11)6(12,13)7(14,15)16/h17H,1-3H2

Weigh it out

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

Names and synonyms

1 names

3-(Perfluorobutyl)propanol

Work with 4,4,5,5,6,6,7,7,7-Nonafluoro-1-heptanol

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)propanol1651-41-896 % similar 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1-nonanol80806-68-496 % similar 3-(Perfluoropropyl)propanol679-02-788 % similar 2-(Perfluorobutyl)ethanol2043-47-276 % similar 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol647-42-773 % similar 1,1,2,2-Tetrahydroperfluoro-1-decanol678-39-773 % similar 2-(Perfluorodecyl)ethanol865-86-173 % similar 4,4,5,5,5-Pentafluoro-1-pentanol148043-73-668 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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