chempirical

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

C8H5BrF4OCAS 68834-05-9273.02 g/mol

Open in Covalent MOL file
FFFFOBr
Alkyl halideAryl halideEther

Properties

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

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 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-Methyl-3-(1,1,2,2-tetrafluoroethoxy)benzene1737-10-646 % similar 3-(1,1,2,2-Tetrafluoroethoxy)benzenamine831-75-446 % similar Bde 152050-47-743 % similar

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

Elsewhere

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