chempirical

6-Bromo-2,2,3,3-tetrafluoro-1,4-benzodioxan

C8H3BrF4O2CAS 141872-90-4287.01 g/mol

Open in Covalent MOL file
BrOOFFFF
Alkyl halideAryl halideEther

Properties

Molecular formula
C8H3BrF4O2
Molar mass
287.01 g/mol
Exact mass
285.9253 Da
logP
3.41Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
141872-90-4
SMILES
C1=CC2=C(C=C1Br)OC(C(O2)(F)F)(F)F
InChIKey
NFBZNZNRSMRQDC-UHFFFAOYSA-N
InChI
InChI=1S/C8H3BrF4O2/c9-4-1-2-5-6(3-4)15-8(12,13)7(10,11)14-5/h1-3H

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Names and synonyms

1 names
  • 6-Bromo-2,2,3,3-tetrafluoro-1,4-benzodioxane

Work with 6-Bromo-2,2,3,3-tetrafluoro-1,4-benzodioxan

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

5-Bromo-2,2-difluorobenzodioxole33070-32-571 % similar 6-Hydroxy-2,2,3,3-tetrafluoro-1,4-benzodioxane103467-50-160 % similar 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene105529-58-652 % similar 4-Bromo-2-(trifluoromethoxy)aniline175278-09-849 % similar 4-Bromo-2-(trifluoromethoxy)iodobenzene175278-12-349 % similar 4-Bromo-2-(trifluoromethoxy)thiophenol175278-15-649 % similar 6-Bromo-1,4-benzodioxane52287-51-147 % similar 5-Bromo-1,3-benzodioxole2635-13-445 % similar

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

Elsewhere

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