3-(1,1,2,2-Tetrafluoroethoxy)-1-propene

C₅H₆F₄OCAS 1428-33-7158.10 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Ether

Properties

Molecular formula: C₅H₆F₄O
Molar mass: 158.10 g/mol
Exact mass: 158.0355 Da
Density: 1.2043 g/mL (at 20 °C)
Boiling point: 74 °C (at 739 Torr)
logP: 2.05Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed97.5% of notifiers
H312 Harmful in contact with skin97.5% of notifiers
H315 Causes skin irritation97.5% of notifiers
H319 Causes serious eye irritation97.5% of notifiers
H332 Harmful if inhaled97.5% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

1428-33-7

SMILES

C=CCOC(F)(F)C(F)F

InChIKey

DTDFWYZVBJYVPL-UHFFFAOYSA-N

InChI

InChI=1S/C5H6F4O/c1-2-3-10-5(8,9)4(6)7/h2,4H,1,3H2

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

Names and synonyms

4 names

1-Propene, 3-(1,1,2,2-tetrafluoroethoxy)-
Ether, allyl 1,1,2,2-tetrafluoroethyl
Allyl 1,1,2,2-tetrafluoroethyl ether
1,1,2,2-Tetrafluoroethyl allyl ether

Work with 3-(1,1,2,2-Tetrafluoroethoxy)-1-propene

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

Allyl 2-chloro-1,1,2-trifluoroethyl ether380-44-963 % similar 3-(1,1,2,3,3,3-Hexafluoropropoxy)propene59158-81-563 % similar 1-Ethoxy-1,1,2,2-tetrafluoroethane512-51-650 % similar 1,1,2,2-Tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane406-78-048 % similar 1,1,2,2-Tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane16627-68-247 % similar Perfluoroethyl 2H-perfluoroethyl ether50807-74-445 % similar 1H,1H,5H-Perfluoropentyl-1,1,2,2-tetrafluoroethylether16627-71-744 % similar 1-(1,1,2,2-Tetrafluoroethoxy)butane358-37-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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