4-bromo-2-N-(4-bromo-2,6-difluorophenyl)-5-fluorobenzene-1,2-diamine

C12H7Br2F3N2 — CID 116736046

IUPAC4-bromo-2-N-(4-bromo-2,6-difluorophenyl)-5-fluorobenzene-1,2-diamine
SMILESNc1cc(F)c(Br)cc1Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C12H7Br2F3N2/c13-5-1-8(16)12(9(17)2-5)19-11-3-6(14)7(15)4-10(11)18/h1-4,19H,18H2
InChIKeyLZWQZSHMCBIJCE-UHFFFAOYSA-N
MW396.00 g/mol
LogP4.95
Rot. Bonds2

About 4-bromo-2-N-(4-bromo-2,6-difluorophenyl)-5-fluorobenzene-1,2-diamine

4-bromo-2-N-(4-bromo-2,6-difluorophenyl)-5-fluorobenzene-1,2-diamine (PubChem CID 116736046) has the molecular formula C12H7Br2F3N2 and a molecular weight of 396.00 g/mol. Its IUPAC name is 4-bromo-2-N-(4-bromo-2,6-difluorophenyl)-5-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-(4-bromo-2,6-difluorophenyl)-5-fluorobenzene-1,2-diamine
PubChem CID116736046
Molecular FormulaC12H7Br2F3N2
Molecular Weight396.00 g/mol
Exact Mass393.89
IUPAC Name4-bromo-2-N-(4-bromo-2,6-difluorophenyl)-5-fluorobenzene-1,2-diamine
SMILESNc1cc(F)c(Br)cc1Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C12H7Br2F3N2/c13-5-1-8(16)12(9(17)2-5)19-11-3-6(14)7(15)4-10(11)18/h1-4,19H,18H2
InChIKeyLZWQZSHMCBIJCE-UHFFFAOYSA-N
XLogP4.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.00
LogP ≤ 54.95
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-5-fluoro-2-N-(2,4,6-trifluorophenyl)benzene-1,2-diamine
CID 116736058
1-N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzene-1,4-diamine
CID 65467733
4-bromo-2-N-(4-bromo-5-fluoro-2-methylphenyl)-5-fluorobenzene-1,2-diamine
CID 116736340
4-bromo-1-N-(2-chloro-4,6-difluorophenyl)-5-fluorobenzene-1,2-diamine
CID 83082015
1-N-(5-bromo-2,4-difluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590831
1-N-(4-bromo-2,6-difluorophenyl)-2-chlorobenzene-1,4-diamine
CID 65468110
4-bromo-2-N-(2,4-dibromo-5-methoxyphenyl)-5-fluorobenzene-1,2-diamine
CID 103410813
4-bromo-2-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzene-1,2-diamine
CID 116736258
1-N-(5-bromo-2,4-difluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 102852460
1-N-(5-bromo-2,4-difluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 102852474
4-amino-3-(4-bromo-2,6-difluoroanilino)-N-methylbenzamide
CID 65468692
4-bromo-2,5-difluoroaniline
CID 2773285

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-(4-bromo-2,6-difluorophenyl)-5-fluorobenzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-(4-bromo-2,6-difluorophenyl)-5-fluorobenzene-1,2-diamine (CID 116736046) is 4-bromo-2-N-(4-bromo-2,6-difluorophenyl)-5-fluorobenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-(4-bromo-2,6-difluorophenyl)-5-fluorobenzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-(4-bromo-2,6-difluorophenyl)-5-fluorobenzene-1,2-diamine is Nc1cc(F)c(Br)cc1Nc1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-2-N-(4-bromo-2,6-difluorophenyl)-5-fluorobenzene-1,2-diamine?
The InChIKey is LZWQZSHMCBIJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2F3N2/c13-5-1-8(16)12(9(17)2-5)19-11-3-6(14)7(15)4-10(11)18/h1-4,19H,18H2.
What are the key properties of 4-bromo-2-N-(4-bromo-2,6-difluorophenyl)-5-fluorobenzene-1,2-diamine?
4-bromo-2-N-(4-bromo-2,6-difluorophenyl)-5-fluorobenzene-1,2-diamine has a molecular weight of 396.00 g/mol, XLogP of 4.95, 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-(4-bromo-2,6-difluorophenyl)-5-fluorobenzene-1,2-diamine is sourced from PubChem (CID 116736046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).