4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine

C12H10ClFN2 — CID 29080218

IUPAC4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C12H10ClFN2/c13-11-7-8(14)1-6-12(11)16-10-4-2-9(15)3-5-10/h1-7,16H,15H2
InChIKeyCHYFYCUHKXKORA-UHFFFAOYSA-N
MW236.68 g/mol
LogP3.80
Rot. Bonds2

About 4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine

4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine (PubChem CID 29080218) has the molecular formula C12H10ClFN2 and a molecular weight of 236.68 g/mol. Its IUPAC name is 4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine
PubChem CID29080218
Molecular FormulaC12H10ClFN2
Molecular Weight236.68 g/mol
Exact Mass236.05
IUPAC Name4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C12H10ClFN2/c13-11-7-8(14)1-6-12(11)16-10-4-2-9(15)3-5-10/h1-7,16H,15H2
InChIKeyCHYFYCUHKXKORA-UHFFFAOYSA-N
XLogP3.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'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
2-chloro-4-fluoro-N-phenylaniline
CID 86051149
4-N-(2,4-difluorophenyl)benzene-1,4-diamine
CID 4764057
3-N-(2-chloro-4-fluorophenyl)-5-methylbenzene-1,3-diamine
CID 112647082
2-(4-aminoanilino)-5-fluorobenzonitrile
CID 63672563
5-amino-2-(2-chloro-4-fluoroanilino)benzamide
CID 61312450
2-chloro-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 43148771
1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067195
1-N-(3-chloro-4-methylphenyl)-4-fluorobenzene-1,2-diamine
CID 29066317
4-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 43148758
4-(2-amino-4-fluoroanilino)-3-chlorobenzonitrile
CID 107806975
3-chloro-2-N-(2-chloro-4-fluorophenyl)benzene-1,2-diamine
CID 29080237

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine (CID 29080218) is 4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine is Nc1ccc(Nc2ccc(F)cc2Cl)cc1.
What is the InChIKey of 4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine?
The InChIKey is CHYFYCUHKXKORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2/c13-11-7-8(14)1-6-12(11)16-10-4-2-9(15)3-5-10/h1-7,16H,15H2.
What are the key properties of 4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine?
4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine has a molecular weight of 236.68 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine is sourced from PubChem (CID 29080218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).