4-Bromo-2,3,5,6-tetrafluoroaniline

C₆H₂BrF₄NCAS 1998-66-9243.99 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₂BrF₄N
Molar mass: 243.99 g/mol
Exact mass: 242.9307 Da
logP: 2.59Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
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

1998-66-9

SMILES

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

InChIKey

LZUYSMHNMFCPBF-UHFFFAOYSA-N

InChI

InChI=1S/C6H2BrF4N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2

Weigh it out

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Work with 4-Bromo-2,3,5,6-tetrafluoroaniline

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

2,3,5,6-Tetrafluoro-1,4-benzenediamine1198-64-769 % similar Pentafluoroaniline771-60-865 % similar 1,4-Dibromo-2,3,5,6-tetrafluorobenzene344-03-663 % similar 2,4,5,6-Tetrafluoro-1,3-benzenediamine1198-63-661 % similar Bromopentafluorobenzene344-04-759 % similar 4,4′-Diaminooctafluorobiphenyl1038-66-058 % similar 1,3-Dibromo-2,4,5,6-tetrafluorobenzene1559-87-156 % similar 4,4'-Dibromo-2,2',3,3',5,5',6,6'-octafluoro-1,1'-biphenyl10386-84-253 % similar

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

Same formula

3-Bromo-2-fluoro-5-(trifluoromethyl)pyridine1031929-01-7 2-Bromo-3-fluoro-5-(trifluoromethyl)pyridine89402-29-9

Elsewhere

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