2-N-(5-bromo-2-fluorophenyl)-3-fluorobenzene-1,2-diamine

C12H9BrF2N2 — CID 112740455

IUPAC2-N-(5-bromo-2-fluorophenyl)-3-fluorobenzene-1,2-diamine
SMILESNc1cccc(F)c1Nc1cc(Br)ccc1F
InChIInChI=1S/C12H9BrF2N2/c13-7-4-5-8(14)11(6-7)17-12-9(15)2-1-3-10(12)16/h1-6,17H,16H2
InChIKeyXXXDYGYZEQLHGH-UHFFFAOYSA-N
MW299.12 g/mol
LogP4.05
Rot. Bonds2

About 2-N-(5-bromo-2-fluorophenyl)-3-fluorobenzene-1,2-diamine

2-N-(5-bromo-2-fluorophenyl)-3-fluorobenzene-1,2-diamine (PubChem CID 112740455) has the molecular formula C12H9BrF2N2 and a molecular weight of 299.12 g/mol. Its IUPAC name is 2-N-(5-bromo-2-fluorophenyl)-3-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-bromo-2-fluorophenyl)-3-fluorobenzene-1,2-diamine
PubChem CID112740455
Molecular FormulaC12H9BrF2N2
Molecular Weight299.12 g/mol
Exact Mass297.99
IUPAC Name2-N-(5-bromo-2-fluorophenyl)-3-fluorobenzene-1,2-diamine
SMILESNc1cccc(F)c1Nc1cc(Br)ccc1F
InChIInChI=1S/C12H9BrF2N2/c13-7-4-5-8(14)11(6-7)17-12-9(15)2-1-3-10(12)16/h1-6,17H,16H2
InChIKeyXXXDYGYZEQLHGH-UHFFFAOYSA-N
XLogP4.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 54.05
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

4-bromo-2-N-(2-bromo-6-fluorophenyl)benzene-1,2-diamine
CID 107596728
4-bromo-2-N-(5-bromo-2-fluorophenyl)benzene-1,2-diamine
CID 65343677
2-N-(4-bromo-2-fluorophenyl)-3-methylbenzene-1,2-diamine
CID 115549996
3-N-(5-bromo-2-fluorophenyl)-2-nitrobenzene-1,3-diamine
CID 80787648
6-bromo-4-N-(5-bromo-2-fluorophenyl)quinoline-3,4-diamine
CID 43621343
2-N-(2,5-dibromophenyl)-3-methylbenzene-1,2-diamine
CID 115550238
2-amino-3-(5-bromo-2-fluoroanilino)benzoic acid
CID 113332604
2-N-(4-bromo-2-methylphenyl)-3,4-difluorobenzene-1,2-diamine
CID 62533328
2-N-(4-bromo-2,5-difluorophenyl)-3-methylbenzene-1,2-diamine
CID 107609012
3-fluoro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
CID 115125585
N-(5-bromo-2-fluorophenyl)-6-fluoropyridin-2-amine
CID 61229571
2-amino-5-(5-bromo-2-fluoroanilino)benzoic acid
CID 55024972

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-bromo-2-fluorophenyl)-3-fluorobenzene-1,2-diamine?
The IUPAC name of 2-N-(5-bromo-2-fluorophenyl)-3-fluorobenzene-1,2-diamine (CID 112740455) is 2-N-(5-bromo-2-fluorophenyl)-3-fluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(5-bromo-2-fluorophenyl)-3-fluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(5-bromo-2-fluorophenyl)-3-fluorobenzene-1,2-diamine is Nc1cccc(F)c1Nc1cc(Br)ccc1F.
What is the InChIKey of 2-N-(5-bromo-2-fluorophenyl)-3-fluorobenzene-1,2-diamine?
The InChIKey is XXXDYGYZEQLHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2/c13-7-4-5-8(14)11(6-7)17-12-9(15)2-1-3-10(12)16/h1-6,17H,16H2.
What are the key properties of 2-N-(5-bromo-2-fluorophenyl)-3-fluorobenzene-1,2-diamine?
2-N-(5-bromo-2-fluorophenyl)-3-fluorobenzene-1,2-diamine has a molecular weight of 299.12 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-bromo-2-fluorophenyl)-3-fluorobenzene-1,2-diamine is sourced from PubChem (CID 112740455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).