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

C12H8Cl2F2N2 — CID 107363679

IUPAC4-chloro-1-N-(3-chloro-5-fluorophenyl)-5-fluorobenzene-1,2-diamine
SMILESNc1cc(Cl)c(F)cc1Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C12H8Cl2F2N2/c13-6-1-7(15)3-8(2-6)18-12-5-10(16)9(14)4-11(12)17/h1-5,18H,17H2
InChIKeyKLNXKAXYCFZWCD-UHFFFAOYSA-N
MW289.11 g/mol
LogP4.60
Rot. Bonds2

About 4-chloro-1-N-(3-chloro-5-fluorophenyl)-5-fluorobenzene-1,2-diamine

4-chloro-1-N-(3-chloro-5-fluorophenyl)-5-fluorobenzene-1,2-diamine (PubChem CID 107363679) has the molecular formula C12H8Cl2F2N2 and a molecular weight of 289.11 g/mol. Its IUPAC name is 4-chloro-1-N-(3-chloro-5-fluorophenyl)-5-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N-(3-chloro-5-fluorophenyl)-5-fluorobenzene-1,2-diamine
PubChem CID107363679
Molecular FormulaC12H8Cl2F2N2
Molecular Weight289.11 g/mol
Exact Mass288.00
IUPAC Name4-chloro-1-N-(3-chloro-5-fluorophenyl)-5-fluorobenzene-1,2-diamine
SMILESNc1cc(Cl)c(F)cc1Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C12H8Cl2F2N2/c13-6-1-7(15)3-8(2-6)18-12-5-10(16)9(14)4-11(12)17/h1-5,18H,17H2
InChIKeyKLNXKAXYCFZWCD-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

4-chloro-1-N-(4-chloro-3-fluorophenyl)-5-fluorobenzene-1,2-diamine
CID 66077226
4-bromo-2-N-(3-chloro-5-fluorophenyl)benzene-1,2-diamine
CID 107363718
1-N-(3-chloro-5-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 107363630
1-N-(4-bromo-3-fluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 66078253
1-N-(3,5-dichlorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589866
1-N-(4-tert-butylphenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 66077387
4-chloro-5-fluoro-1-N-(4-methylsulfanylphenyl)benzene-1,2-diamine
CID 66078362
4-chloro-5-fluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,2-diamine
CID 114837240
4,5-dichloro-2-N-[3-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 116698705
4-(2-amino-4-chloro-5-fluoroanilino)benzene-1,2-dicarbonitrile
CID 107787128
2-N-(3-chloro-4-fluorophenyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66102226
1-N-(2-bromo-5-fluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 107634444

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-(3-chloro-5-fluorophenyl)-5-fluorobenzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N-(3-chloro-5-fluorophenyl)-5-fluorobenzene-1,2-diamine (CID 107363679) is 4-chloro-1-N-(3-chloro-5-fluorophenyl)-5-fluorobenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N-(3-chloro-5-fluorophenyl)-5-fluorobenzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N-(3-chloro-5-fluorophenyl)-5-fluorobenzene-1,2-diamine is Nc1cc(Cl)c(F)cc1Nc1cc(F)cc(Cl)c1.
What is the InChIKey of 4-chloro-1-N-(3-chloro-5-fluorophenyl)-5-fluorobenzene-1,2-diamine?
The InChIKey is KLNXKAXYCFZWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F2N2/c13-6-1-7(15)3-8(2-6)18-12-5-10(16)9(14)4-11(12)17/h1-5,18H,17H2.
What are the key properties of 4-chloro-1-N-(3-chloro-5-fluorophenyl)-5-fluorobenzene-1,2-diamine?
4-chloro-1-N-(3-chloro-5-fluorophenyl)-5-fluorobenzene-1,2-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 4-chloro-1-N-(3-chloro-5-fluorophenyl)-5-fluorobenzene-1,2-diamine is sourced from PubChem (CID 107363679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).