(1,1,2,2-Tetrafluoroethoxy)benzene

C₈H₆F₄OCAS 350-57-2194.13 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₈H₆F₄O
Molar mass: 194.13 g/mol
Exact mass: 194.0355 Da
Boiling point: 102 °C (at 100 Torr)
logP: 2.92Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H226 Flammable liquid and vapor97.6% of notifiers
H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 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

350-57-2

SMILES

FC(F)C(F)(F)Oc1ccccc1

InChIKey

GRDIVJPQARIBNZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F4O/c9-7(10)8(11,12)13-6-4-2-1-3-5-6/h1-5,7H

Weigh it out

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

Names and synonyms

5 names

Benzene, (1,1,2,2-tetrafluoroethoxy)-
Phenetole, α,α,β,β-tetrafluoro-
1,1,2,2-Tetrafluoroethyl phenyl ether
Phenyl α,α,β,β-tetrafluoroethyl ether
4-(1,1,2,2-Tetrafluoroethoxy)benzene

Work with (1,1,2,2-Tetrafluoroethoxy)benzene

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

1,2-Bis(1,1,2,2-tetrafluoroethoxy)benzene4063-48-365 % similar 1-Methyl-3-(1,1,2,2-tetrafluoroethoxy)benzene1737-10-665 % similar 1-Methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene1737-11-762 % similar 1-Bromo-4-(1,1,2,2-tetrafluoroethoxy)benzene68834-05-962 % similar 4-(1,1,2,2-Tetrafluoroethoxy)aniline713-62-262 % similar 3-(1,1,2,2-Tetrafluoroethoxy)benzenamine831-75-459 % similar 4-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde35295-36-456 % similar 3-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde35295-35-354 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Fluoro-3-(trifluoromethyl)anisole127271-65-2 2-Fluoro-6-(trifluoromethyl)benzyl alcohol152211-15-9 3-Fluoro-5-(trifluoromethyl)benzyl alcohol184970-29-4 2-Fluoro-4-(trifluoromethyl)benzyl alcohol197239-49-9 2-Fluoro-5-(trifluoromethyl)benzyl alcohol207974-09-2 2-Fluoro-3-(trifluoromethyl)benzyl alcohol207981-45-1 4-Fluoro-2-(trifluoromethyl)benzyl alcohol220227-29-2 5-Fluoro-2-(trifluoromethyl)benzenemethanol238742-82-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook