1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine

C12H8Cl2F2N2 — CID 83077117

IUPAC1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
SMILESNc1ccc(Nc2c(Cl)cc(F)cc2Cl)c(F)c1
InChIInChI=1S/C12H8Cl2F2N2/c13-8-3-6(15)4-9(14)12(8)18-11-2-1-7(17)5-10(11)16/h1-5,18H,17H2
InChIKeyWAFORVCAJOQMLY-UHFFFAOYSA-N
MW289.11 g/mol
LogP4.60
Rot. Bonds2

About 1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine

1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine (PubChem CID 83077117) has the molecular formula C12H8Cl2F2N2 and a molecular weight of 289.11 g/mol. Its IUPAC name is 1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
PubChem CID83077117
Molecular FormulaC12H8Cl2F2N2
Molecular Weight289.11 g/mol
Exact Mass288.00
IUPAC Name1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
SMILESNc1ccc(Nc2c(Cl)cc(F)cc2Cl)c(F)c1
InChIInChI=1S/C12H8Cl2F2N2/c13-8-3-6(15)4-9(14)12(8)18-11-2-1-7(17)5-10(11)16/h1-5,18H,17H2
InChIKeyWAFORVCAJOQMLY-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-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
CID 29080215
5-amino-2-(2-chloro-4,6-difluoroanilino)benzenesulfonamide
CID 83074420
1-N-(2-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067265
1-N-(4-chloro-2-fluorophenyl)-2,6-difluorobenzene-1,4-diamine
CID 54954908
1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067195
1-N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzene-1,4-diamine
CID 65467733
1-N-(4-bromo-2,6-difluorophenyl)-2-chlorobenzene-1,4-diamine
CID 65468110
1-N-(2-bromo-3-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 103477514
2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile
CID 64914398
4,5-dichloro-2-N-(2-chloro-4,6-difluorophenyl)benzene-1,2-diamine
CID 83081059
4-bromo-1-N-(2-chloro-4,6-difluorophenyl)-5-fluorobenzene-1,2-diamine
CID 83082015
2-chloro-1-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine
CID 82815883

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine?
The IUPAC name of 1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine (CID 83077117) is 1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine?
The canonical SMILES for 1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine is Nc1ccc(Nc2c(Cl)cc(F)cc2Cl)c(F)c1.
What is the InChIKey of 1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine?
The InChIKey is WAFORVCAJOQMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F2N2/c13-8-3-6(15)4-9(14)12(8)18-11-2-1-7(17)5-10(11)16/h1-5,18H,17H2.
What are the key properties of 1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine?
1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-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 1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine is sourced from PubChem (CID 83077117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).