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

C12H10ClFN2 — CID 43148758

IUPAC4-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine
SMILESNc1cc(Cl)ccc1Nc1ccc(F)cc1
InChIInChI=1S/C12H10ClFN2/c13-8-1-6-12(11(15)7-8)16-10-4-2-9(14)3-5-10/h1-7,16H,15H2
InChIKeyZUYJZTTUJCNCTP-UHFFFAOYSA-N
MW236.68 g/mol
LogP3.80
Rot. Bonds2

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

4-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine (PubChem CID 43148758) has the molecular formula C12H10ClFN2 and a molecular weight of 236.68 g/mol. Its IUPAC name is 4-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine
PubChem CID43148758
Molecular FormulaC12H10ClFN2
Molecular Weight236.68 g/mol
Exact Mass236.05
IUPAC Name4-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine
SMILESNc1cc(Cl)ccc1Nc1ccc(F)cc1
InChIInChI=1S/C12H10ClFN2/c13-8-1-6-12(11(15)7-8)16-10-4-2-9(14)3-5-10/h1-7,16H,15H2
InChIKeyZUYJZTTUJCNCTP-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine
CID 62808962
4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine
CID 2815904
4-bromo-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 43148755
4-(2-amino-4-chloroanilino)benzonitrile
CID 29067290
N-(4-chlorophenyl)-2,5-difluoroaniline
CID 82536926
2-N-(4-fluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 114281220
4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine
CID 29080218
1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067195
4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
CID 29067539
4-chloro-1-N-fluorobenzene-1,2-diamine
CID 146389148
4-fluoro-1-N-(4-methylsulfanylphenyl)benzene-1,2-diamine
CID 29066750
1-N-(3-chloro-4-methylphenyl)-4-fluorobenzene-1,2-diamine
CID 29066317

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine (CID 43148758) is 4-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine is Nc1cc(Cl)ccc1Nc1ccc(F)cc1.
What is the InChIKey of 4-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine?
The InChIKey is ZUYJZTTUJCNCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2/c13-8-1-6-12(11(15)7-8)16-10-4-2-9(14)3-5-10/h1-7,16H,15H2.
What are the key properties of 4-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine?
4-chloro-1-N-(4-fluorophenyl)benzene-1,2-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-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine is sourced from PubChem (CID 43148758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).