4-Bromo-2,6-difluorobenzotrifluoride

C₇H₂BrF₅CAS 156243-64-0260.99 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₂BrF₅
Molar mass: 260.99 g/mol
Exact mass: 259.9260 Da
logP: 3.75Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
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

156243-64-0

SMILES

C1=C(C=C(C(=C1F)C(F)(F)F)F)Br

InChIKey

QPJKIRNIIXIPIE-UHFFFAOYSA-N

InChI

InChI=1S/C7H2BrF5/c8-3-1-4(9)6(5(10)2-3)7(11,12)13/h1-2H

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Names and synonyms

1 names

3,5-Difluoro-4-(trifluoromethyl)bromobenzene

Work with 4-Bromo-2,6-difluorobenzotrifluoride

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

1,3,5-Trifluoro-2-(trifluoromethyl)benzene122030-04-060 % similar 3,5-Difluoro-4-(trifluoromethyl)benzenamine123950-44-756 % similar 4-Bromo-2-fluorobenzotrifluoride142808-15-955 % similar 4-Bromo-2-fluoro-6-(trifluoromethyl)benzenamine875664-46-355 % similar 1,4-Dibromo-3,5-difluorobenzene128259-71-252 % similar 1-Bromo-3,5-bis(trifluoromethyl)benzene328-70-150 % similar 1,3-Dibromo-5-(trifluoromethyl)benzene401-84-350 % similar 4-Bromo-2,6-difluorophenylboronic acid352535-81-048 % similar

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

Same formula

Pentafluorobenzyl bromide1765-40-8

Elsewhere

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