1,1′-Oxybis[2,2,2-trifluoroethane]

C₄H₄F₆OCAS 333-36-8182.07 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₄H₄F₆O
Molar mass: 182.07 g/mol
Exact mass: 182.0166 Da
Density: 1.4171 g/mL (at 20 °C)
Melting point: below 25 °C
Boiling point: 63.9 °C
logP: 2.13Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 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, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

333-36-8

SMILES

FC(F)(F)COCC(F)(F)F

InChIKey

KGPPDNUWZNWPSI-UHFFFAOYSA-N

InChI

InChI=1S/C4H4F6O/c5-3(6,7)1-11-2-4(8,9)10/h1-2H2

Weigh it out

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

Names and synonyms

15 names · show all

Ethane, 1,1′-oxybis[2,2,2-trifluoro-
Ether, bis(2,2,2-trifluoroethyl)
SKF 6539
Bis(2,2,2-trifluoroethyl) ether
Fluorothyl
Fluroethyl
Flurothyl
Indoklon
2-(2,2,2-Trifluoroethoxy)-1,1,1-trifluoroethane
Hexafluorodiethyl ether
Flurotyl
HFE 356mff2
Idoklon
Indiklon
1,1,1-Trifluoro-2-(2,2,2-trifluoroethoxy)ethane

Work with 1,1′-Oxybis[2,2,2-trifluoroethane]

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

2,2,2-Trifluoroethyl methyl ether460-43-550 % similar Tris(2,2,2-trifluoroethyl) borate659-18-750 % similar 2,2,2-Trifluoroethyl difluoromethyl ether1885-48-945 % similar 2,2,2-Trifluoroethyl formate32042-38-943 % similar Tris(2,2,2-trifluoroethyl)phosphate358-63-443 % similar Fluroxene406-90-643 % similar 1,4-Bis(2,2,2-trifluoroethoxy)benzene66300-61-643 % similar 1,1,1,3,3,3-Hexafluoropropane690-39-140 % similar

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

Same formula

Isoflurothyl13171-18-1 3-(Difluoromethoxy)-1,1,2,2-tetrafluoropropane35042-99-0 2,2,3,4,4,4-Hexafluorobutan-1-ol382-31-0 1,1,2,3,3,3-Hexafluoropropyl methyl ether382-34-3

Elsewhere

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