3-(Perfluoropropyl)propanol

C₆H₇F₇OCAS 679-02-7228.11 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₆H₇F₇O
Molar mass: 228.11 g/mol
Exact mass: 228.0385 Da
logP: 2.59Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Hazards

Warning

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

Aggregated from the 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

679-02-7

SMILES

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

InChIKey

VACKBPFJJWRSAO-UHFFFAOYSA-N

InChI

InChI=1S/C6H7F7O/c7-4(8,2-1-3-14)5(9,10)6(11,12)13/h14H,1-3H2

Weigh it out

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

Names and synonyms

1 names

4,4,5,5,6,6,6-Heptafluorohexan-1-ol

Work with 3-(Perfluoropropyl)propanol

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

4,4,5,5,6,6,7,7,7-Nonafluoro-1-heptanol83310-97-888 % similar 3-(Perfluorooctyl)propanol1651-41-884 % similar 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1-nonanol80806-68-484 % similar 4,4,5,5,5-Pentafluoro-1-pentanol148043-73-671 % similar 2-(Perfluorobutyl)ethanol2043-47-265 % similar 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol647-42-763 % similar 1,1,2,2-Tetrahydroperfluoro-1-decanol678-39-763 % similar 2-(Perfluorodecyl)ethanol865-86-163 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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