4,5-dichloro-2-N-(2-chloro-4,6-difluorophenyl)benzene-1,2-diamine

C12H7Cl3F2N2 — CID 83081059

IUPAC4,5-dichloro-2-N-(2-chloro-4,6-difluorophenyl)benzene-1,2-diamine
SMILESNc1cc(Cl)c(Cl)cc1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C12H7Cl3F2N2/c13-6-3-10(18)11(4-7(6)14)19-12-8(15)1-5(16)2-9(12)17/h1-4,19H,18H2
InChIKeyRIBIPFSFMXMWEK-UHFFFAOYSA-N
MW323.56 g/mol
LogP5.25
Rot. Bonds2

About 4,5-dichloro-2-N-(2-chloro-4,6-difluorophenyl)benzene-1,2-diamine

4,5-dichloro-2-N-(2-chloro-4,6-difluorophenyl)benzene-1,2-diamine (PubChem CID 83081059) has the molecular formula C12H7Cl3F2N2 and a molecular weight of 323.56 g/mol. Its IUPAC name is 4,5-dichloro-2-N-(2-chloro-4,6-difluorophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dichloro-2-N-(2-chloro-4,6-difluorophenyl)benzene-1,2-diamine
PubChem CID83081059
Molecular FormulaC12H7Cl3F2N2
Molecular Weight323.56 g/mol
Exact Mass321.96
IUPAC Name4,5-dichloro-2-N-(2-chloro-4,6-difluorophenyl)benzene-1,2-diamine
SMILESNc1cc(Cl)c(Cl)cc1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C12H7Cl3F2N2/c13-6-3-10(18)11(4-7(6)14)19-12-8(15)1-5(16)2-9(12)17/h1-4,19H,18H2
InChIKeyRIBIPFSFMXMWEK-UHFFFAOYSA-N
XLogP5.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.56
LogP ≤ 55.25
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-1-N-(2-chloro-4,6-difluorophenyl)-5-fluorobenzene-1,2-diamine
CID 83082015
4-amino-3-(2-chloro-4,6-difluoroanilino)benzenesulfonamide
CID 83073033
5-N-(2-chloro-4,6-difluorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine
CID 83072875
4-bromo-5-fluoro-2-N-(2,4,6-trifluorophenyl)benzene-1,2-diamine
CID 116736058
2-chloro-4-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzene-1,4-diamine
CID 83076284
8-N-(2-chloro-4,6-difluorophenyl)quinoline-5,8-diamine
CID 83074548
5-amino-2-(2-chloro-4,6-difluoroanilino)benzenesulfonamide
CID 83074420
1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
CID 83077117
3-N-(2-chloro-4,6-difluorophenyl)pyrazine-2,3-diamine
CID 102987080
3-chloro-2-N-(2-chloro-4,6-difluorophenyl)pyridine-2,5-diamine
CID 114046291
6-chloro-2-N-(2-chloro-4,6-difluorophenyl)-1,3,5-triazine-2,4-diamine
CID 83083273
4-chloro-1-N-(3-chloro-5-fluorophenyl)-5-fluorobenzene-1,2-diamine
CID 107363679

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-N-(2-chloro-4,6-difluorophenyl)benzene-1,2-diamine?
The IUPAC name of 4,5-dichloro-2-N-(2-chloro-4,6-difluorophenyl)benzene-1,2-diamine (CID 83081059) is 4,5-dichloro-2-N-(2-chloro-4,6-difluorophenyl)benzene-1,2-diamine.
What is the SMILES notation for 4,5-dichloro-2-N-(2-chloro-4,6-difluorophenyl)benzene-1,2-diamine?
The canonical SMILES for 4,5-dichloro-2-N-(2-chloro-4,6-difluorophenyl)benzene-1,2-diamine is Nc1cc(Cl)c(Cl)cc1Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of 4,5-dichloro-2-N-(2-chloro-4,6-difluorophenyl)benzene-1,2-diamine?
The InChIKey is RIBIPFSFMXMWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3F2N2/c13-6-3-10(18)11(4-7(6)14)19-12-8(15)1-5(16)2-9(12)17/h1-4,19H,18H2.
What are the key properties of 4,5-dichloro-2-N-(2-chloro-4,6-difluorophenyl)benzene-1,2-diamine?
4,5-dichloro-2-N-(2-chloro-4,6-difluorophenyl)benzene-1,2-diamine has a molecular weight of 323.56 g/mol, XLogP of 5.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-N-(2-chloro-4,6-difluorophenyl)benzene-1,2-diamine is sourced from PubChem (CID 83081059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).