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

C12H7BrClF3N2 — CID 102852474

IUPAC1-N-(5-bromo-2,4-difluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
SMILESNc1cc(Cl)c(F)cc1Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C12H7BrClF3N2/c13-5-1-11(9(17)3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4,19H,18H2
InChIKeyKZCZVSWXFXXCMB-UHFFFAOYSA-N
MW351.55 g/mol
LogP4.85
Rot. Bonds2

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

1-N-(5-bromo-2,4-difluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine (PubChem CID 102852474) has the molecular formula C12H7BrClF3N2 and a molecular weight of 351.55 g/mol. Its IUPAC name is 1-N-(5-bromo-2,4-difluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-bromo-2,4-difluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
PubChem CID102852474
Molecular FormulaC12H7BrClF3N2
Molecular Weight351.55 g/mol
Exact Mass349.94
IUPAC Name1-N-(5-bromo-2,4-difluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
SMILESNc1cc(Cl)c(F)cc1Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C12H7BrClF3N2/c13-5-1-11(9(17)3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4,19H,18H2
InChIKeyKZCZVSWXFXXCMB-UHFFFAOYSA-N
XLogP4.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.55
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-N-(4-bromo-3-fluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 66078253
1-N-(2-bromo-5-fluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 107634444
1-N-(5-bromo-2,4-difluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590831
4-bromo-1-N-(2-chloro-4,6-difluorophenyl)-5-fluorobenzene-1,2-diamine
CID 83082015
4-bromo-1-N-(5-bromo-2-chlorophenyl)-5-fluorobenzene-1,2-diamine
CID 66112308
4-bromo-2-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzene-1,2-diamine
CID 116736258
1-N-(2-bromo-6-fluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 107596688
1-N-(5-bromo-2,4-difluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 102852460
4-bromo-2-N-(4-bromo-5-fluoro-2-methylphenyl)-5-fluorobenzene-1,2-diamine
CID 116736340
1-N-(4-bromo-2-methylphenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 66077776
4-chloro-1-N-(4-chloro-3-fluorophenyl)-5-fluorobenzene-1,2-diamine
CID 66077226
4-bromo-5-fluoro-2-N-(2,4,6-trifluorophenyl)benzene-1,2-diamine
CID 116736058

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-bromo-2,4-difluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N-(5-bromo-2,4-difluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine (CID 102852474) is 1-N-(5-bromo-2,4-difluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(5-bromo-2,4-difluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-(5-bromo-2,4-difluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine is Nc1cc(Cl)c(F)cc1Nc1cc(Br)c(F)cc1F.
What is the InChIKey of 1-N-(5-bromo-2,4-difluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine?
The InChIKey is KZCZVSWXFXXCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF3N2/c13-5-1-11(9(17)3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4,19H,18H2.
What are the key properties of 1-N-(5-bromo-2,4-difluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine?
1-N-(5-bromo-2,4-difluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine has a molecular weight of 351.55 g/mol, XLogP of 4.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-bromo-2,4-difluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine is sourced from PubChem (CID 102852474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).