4-bromo-2-N-(2-bromo-6-fluorophenyl)benzene-1,2-diamine

C12H9Br2FN2 — CID 107596728

IUPAC4-bromo-2-N-(2-bromo-6-fluorophenyl)benzene-1,2-diamine
SMILESNc1ccc(Br)cc1Nc1c(F)cccc1Br
InChIInChI=1S/C12H9Br2FN2/c13-7-4-5-10(16)11(6-7)17-12-8(14)2-1-3-9(12)15/h1-6,17H,16H2
InChIKeyILLNGHKVLHLZDL-UHFFFAOYSA-N
MW360.02 g/mol
LogP4.68
Rot. Bonds2

About 4-bromo-2-N-(2-bromo-6-fluorophenyl)benzene-1,2-diamine

4-bromo-2-N-(2-bromo-6-fluorophenyl)benzene-1,2-diamine (PubChem CID 107596728) has the molecular formula C12H9Br2FN2 and a molecular weight of 360.02 g/mol. Its IUPAC name is 4-bromo-2-N-(2-bromo-6-fluorophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-(2-bromo-6-fluorophenyl)benzene-1,2-diamine
PubChem CID107596728
Molecular FormulaC12H9Br2FN2
Molecular Weight360.02 g/mol
Exact Mass357.91
IUPAC Name4-bromo-2-N-(2-bromo-6-fluorophenyl)benzene-1,2-diamine
SMILESNc1ccc(Br)cc1Nc1c(F)cccc1Br
InChIInChI=1S/C12H9Br2FN2/c13-7-4-5-10(16)11(6-7)17-12-8(14)2-1-3-9(12)15/h1-6,17H,16H2
InChIKeyILLNGHKVLHLZDL-UHFFFAOYSA-N
XLogP4.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.02
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-(2-bromo-6-fluorophenyl)-4-methoxybenzene-1,2-diamine
CID 107596750
2-N-(5-bromo-2-fluorophenyl)-3-fluorobenzene-1,2-diamine
CID 112740455
1-N-(2-bromo-6-fluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 107596688
2-N-(2-bromo-6-fluorophenyl)-4,5-dimethoxybenzene-1,2-diamine
CID 107596753
4-bromo-2-N-(5-bromo-2-fluorophenyl)benzene-1,2-diamine
CID 65343677
2-amino-5-bromo-N-(2-bromo-6-fluorophenyl)benzenesulfonamide
CID 107596358
2,6-dibromo-N-(2,4-dibromophenyl)aniline
CID 101290135
2-N-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine
CID 55067874
2-N-(2,4-dibromophenyl)-4-fluorobenzene-1,2-diamine
CID 62376625
1-N-(2-bromo-6-fluorophenyl)-2,6-dichlorobenzene-1,4-diamine
CID 107596742
4-amino-2-(2-bromo-6-fluoroanilino)benzoic acid
CID 107602748
4-amino-2-(2-bromo-6-fluoroanilino)benzamide
CID 107596749

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-(2-bromo-6-fluorophenyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-(2-bromo-6-fluorophenyl)benzene-1,2-diamine (CID 107596728) is 4-bromo-2-N-(2-bromo-6-fluorophenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-(2-bromo-6-fluorophenyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-(2-bromo-6-fluorophenyl)benzene-1,2-diamine is Nc1ccc(Br)cc1Nc1c(F)cccc1Br.
What is the InChIKey of 4-bromo-2-N-(2-bromo-6-fluorophenyl)benzene-1,2-diamine?
The InChIKey is ILLNGHKVLHLZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FN2/c13-7-4-5-10(16)11(6-7)17-12-8(14)2-1-3-9(12)15/h1-6,17H,16H2.
What are the key properties of 4-bromo-2-N-(2-bromo-6-fluorophenyl)benzene-1,2-diamine?
4-bromo-2-N-(2-bromo-6-fluorophenyl)benzene-1,2-diamine has a molecular weight of 360.02 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-(2-bromo-6-fluorophenyl)benzene-1,2-diamine is sourced from PubChem (CID 107596728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).