1-Bromo-4-(1,1,2,2-tetrafluoroethoxy)benzene

C₈H₅BrF₄OCAS 68834-05-9273.02 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₈H₅BrF₄O
Molar mass: 273.02 g/mol
Exact mass: 271.9460 Da
logP: 3.69Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

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

Aggregated from 40 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

68834-05-9

SMILES

FC(F)C(F)(F)Oc1ccc(Br)cc1

InChIKey

VKJYIOCMIHTAET-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrF4O/c9-5-1-3-6(4-2-5)14-8(12,13)7(10)11/h1-4,7H

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Names and synonyms

4 names

Benzene, 1-bromo-4-(1,1,2,2-tetrafluoroethoxy)-
4-(1,1,2,2-Tetrafluoroethoxy)bromobenzene
4-Bromo(1,1,2,2-tetrafluoroethoxy)benzene
4-(1,1,2,2-Tetrafluoroethoxy)phenyl bromide

Work with 1-Bromo-4-(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

(1,1,2,2-Tetrafluoroethoxy)benzene350-57-262 % similar 1-Methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene1737-11-761 % similar 4-(1,1,2,2-Tetrafluoroethoxy)aniline713-62-261 % similar 1-Bromo-4-(trifluoromethoxy)benzene407-14-759 % similar 4-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde35295-36-456 % similar 4-(1,1,2,2-Tetrafluoroethoxy)benzoic acid10009-25-351 % similar 1,2-Bis(1,1,2,2-tetrafluoroethoxy)benzene4063-48-348 % similar 1-Bromo-4-(difluoromethoxy)benzene5905-69-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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