2,2,3,4,4,4-Hexafluorobutan-1-ol

C₄H₄F₆OCAS 382-31-0182.07 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₄H₄F₆O
Molar mass: 182.07 g/mol
Exact mass: 182.0166 Da
Boiling point: 117 °C
logP: 1.51Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H226 Flammable liquid and vapor13% of notifiers
H302 Harmful if swallowed84.8% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled84.8% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

382-31-0

SMILES

OCC(F)(F)C(F)C(F)(F)F

InChIKey

LVFXLZRISXUAIL-UHFFFAOYSA-N

InChI

InChI=1S/C4H4F6O/c5-2(4(8,9)10)3(6,7)1-11/h2,11H,1H2

Weigh it out

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

Names and synonyms

6 names

2,2,3,4,4,4-Hexafluoro-1-butanol
1-Butanol, 2,2,3,4,4,4-hexafluoro-
2,2,3,4,4,4-Hexafluorobutanol
2,2,3,4,4,4-Hexafluoro-1-butyl alcohol
H 0649
1H,1H,3H-Hexafluorobutanol

Work with 2,2,3,4,4,4-Hexafluorobutan-1-ol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2,3,3-Tetrafluoro-1-propanol76-37-954 % similar 1,1,1,2,3,3,3-Heptafluoropropane431-89-048 % similar 2,2,3,4,4,4-Hexafluorobutyl acrylate54052-90-337 % similar 1-(2H-Perfluoropropyl)ethanol2711-81-137 % similar Ethyl 1,1,2,3,3,3-hexafluoropropyl ether380-34-735 % similar 2,2,3,4,4,4-Hexafluorobutyl methacrylate36405-47-735 % similar N,N-Diethyl-1,1,2,3,3,3-hexafluoropropylamine309-88-634 % similar 2,2,3,3-Tetrafluoro-1,4-butanediol425-61-633 % similar

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

Same formula

Isoflurothyl13171-18-1 1,1′-Oxybis[2,2,2-trifluoroethane]333-36-8 3-(Difluoromethoxy)-1,1,2,2-tetrafluoropropane35042-99-0 1,1,2,3,3,3-Hexafluoropropyl methyl ether382-34-3

Elsewhere

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