chempirical

4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene

C7H3BrF4OCAS 105529-58-6259.00 g/mol

Open in Covalent MOL file
FBrOFFF
Alkyl halideAryl halideEther

Properties

Molecular formula
C7H3BrF4O
Molar mass
259.00 g/mol
Exact mass
257.9303 Da
logP
3.49Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
105529-58-6
SMILES
Fc1cc(Br)ccc1OC(F)(F)F
InChIKey
SBSFDYRKNUCGBZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrF4O/c8-4-1-2-6(5(9)3-4)13-7(10,11)12/h1-3H

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

Names and synonyms

6 names
  • Benzene, 4-bromo-2-fluoro-1-(trifluoromethoxy)-
  • 1-Bromo-3-fluoro-4-trifluoromethoxybenzene
  • 3-Fluoro-4-trifluoromethoxybromobenzene
  • 4-Bromo-2-fluoro-1-trifluoromethoxybenzene
  • 2-Fluoro-4-bromo-1-(trifluoromethoxy)benzene
  • 4-Bromo-2-fluoro-1-(trifluoromethyloxy)benzene

Work with 4-Bromo-2-fluoro-1-(trifluoromethoxy)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

4-Bromo-2-fluoroanisole2357-52-059 % similar 3-Fluoro-4-(trifluoromethoxy)aniline1017779-69-958 % similar 1-Bromo-3,4-difluorobenzene348-61-852 % similar 1-Bromo-4-(trifluoromethoxy)benzene407-14-752 % similar 1-Bromo-3-(trifluoromethoxy)benzene2252-44-050 % similar N-[4-Bromo-2-(trifluoromethoxy)phenyl]acetamide175278-18-948 % similar 5-Bromo-2-fluorobenzotrifluoride393-37-347 % similar 4-Bromo-1-fluoro-2-methoxybenzene103291-07-246 % similar

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

Elsewhere

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