2,6-dichloro-1-N-(3,4-difluorophenyl)benzene-1,4-diamine

C12H8Cl2F2N2 — CID 106889883

IUPAC2,6-dichloro-1-N-(3,4-difluorophenyl)benzene-1,4-diamine
SMILESNc1cc(Cl)c(Nc2ccc(F)c(F)c2)c(Cl)c1
InChIInChI=1S/C12H8Cl2F2N2/c13-8-3-6(17)4-9(14)12(8)18-7-1-2-10(15)11(16)5-7/h1-5,18H,17H2
InChIKeyXSJDAXKSUBWOBX-UHFFFAOYSA-N
MW289.11 g/mol
LogP4.60
Rot. Bonds2

About 2,6-dichloro-1-N-(3,4-difluorophenyl)benzene-1,4-diamine

2,6-dichloro-1-N-(3,4-difluorophenyl)benzene-1,4-diamine (PubChem CID 106889883) has the molecular formula C12H8Cl2F2N2 and a molecular weight of 289.11 g/mol. Its IUPAC name is 2,6-dichloro-1-N-(3,4-difluorophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-(3,4-difluorophenyl)benzene-1,4-diamine
PubChem CID106889883
Molecular FormulaC12H8Cl2F2N2
Molecular Weight289.11 g/mol
Exact Mass288.00
IUPAC Name2,6-dichloro-1-N-(3,4-difluorophenyl)benzene-1,4-diamine
SMILESNc1cc(Cl)c(Nc2ccc(F)c(F)c2)c(Cl)c1
InChIInChI=1S/C12H8Cl2F2N2/c13-8-3-6(17)4-9(14)12(8)18-7-1-2-10(15)11(16)5-7/h1-5,18H,17H2
InChIKeyXSJDAXKSUBWOBX-UHFFFAOYSA-N
XLogP4.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.11
LogP ≤ 54.60
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

1-N-(4-chloro-3-fluorophenyl)-2,6-difluorobenzene-1,4-diamine
CID 54955427
3,5-dichloro-6-N-(3,4-difluorophenyl)pyridine-2,6-diamine
CID 102755062
2,6-dichloro-1-N-(4-ethylphenyl)benzene-1,4-diamine
CID 106889893
1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067140
2,6-dichloro-1-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzene-1,4-diamine
CID 106889855
1-N-(2-bromo-6-fluorophenyl)-2,6-dichlorobenzene-1,4-diamine
CID 107596742
2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine
CID 114046311
3-N-(3,4-difluorophenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80723054
1-N-(3-chloro-4-fluorophenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 63750431
3-chloro-4-(3,4-difluoroanilino)benzenecarbothioamide
CID 63087780
5-chloro-1-N-(4-chloro-3-fluorophenyl)-6-fluorobenzene-1,2,4-triamine
CID 103552819
3-N-(3,4-difluorophenyl)-5-methoxybenzene-1,3-diamine
CID 80722910

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-(3,4-difluorophenyl)benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-(3,4-difluorophenyl)benzene-1,4-diamine (CID 106889883) is 2,6-dichloro-1-N-(3,4-difluorophenyl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-(3,4-difluorophenyl)benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-(3,4-difluorophenyl)benzene-1,4-diamine is Nc1cc(Cl)c(Nc2ccc(F)c(F)c2)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-1-N-(3,4-difluorophenyl)benzene-1,4-diamine?
The InChIKey is XSJDAXKSUBWOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F2N2/c13-8-3-6(17)4-9(14)12(8)18-7-1-2-10(15)11(16)5-7/h1-5,18H,17H2.
What are the key properties of 2,6-dichloro-1-N-(3,4-difluorophenyl)benzene-1,4-diamine?
2,6-dichloro-1-N-(3,4-difluorophenyl)benzene-1,4-diamine has a molecular weight of 289.11 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-(3,4-difluorophenyl)benzene-1,4-diamine is sourced from PubChem (CID 106889883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).