4-N-(2,4-difluorophenyl)benzene-1,4-diamine

C12H10F2N2 — CID 4764057

IUPAC4-N-(2,4-difluorophenyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C12H10F2N2/c13-8-1-6-12(11(14)7-8)16-10-4-2-9(15)3-5-10/h1-7,16H,15H2
InChIKeyXPMXSVZEKBEYTH-UHFFFAOYSA-N
MW220.22 g/mol
LogP3.29
Rot. Bonds2

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

4-N-(2,4-difluorophenyl)benzene-1,4-diamine (PubChem CID 4764057) has the molecular formula C12H10F2N2 and a molecular weight of 220.22 g/mol. Its IUPAC name is 4-N-(2,4-difluorophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-difluorophenyl)benzene-1,4-diamine
PubChem CID4764057
Molecular FormulaC12H10F2N2
Molecular Weight220.22 g/mol
Exact Mass220.08
IUPAC Name4-N-(2,4-difluorophenyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C12H10F2N2/c13-8-1-6-12(11(14)7-8)16-10-4-2-9(15)3-5-10/h1-7,16H,15H2
InChIKeyXPMXSVZEKBEYTH-UHFFFAOYSA-N
XLogP3.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 53.29
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

4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine
CID 29080218
1-N-(2,4-difluorophenyl)-2-iodobenzene-1,4-diamine
CID 66094766
1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067195
2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine
CID 29067094
1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
CID 29080215
5-N-(2,4-difluorophenyl)pyridine-3,5-diamine
CID 104532376
2-(4-aminoanilino)-5-fluorobenzonitrile
CID 63672563
1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067140
2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine
CID 157044293
1-[4-(2,4-difluoroanilino)phenyl]ethanone
CID 82536666
2-fluoro-N-(4-fluorophenyl)-4-iodoaniline
CID 174579692
2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 115126629

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-difluorophenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2,4-difluorophenyl)benzene-1,4-diamine (CID 4764057) is 4-N-(2,4-difluorophenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2,4-difluorophenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2,4-difluorophenyl)benzene-1,4-diamine is Nc1ccc(Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 4-N-(2,4-difluorophenyl)benzene-1,4-diamine?
The InChIKey is XPMXSVZEKBEYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2/c13-8-1-6-12(11(14)7-8)16-10-4-2-9(15)3-5-10/h1-7,16H,15H2.
What are the key properties of 4-N-(2,4-difluorophenyl)benzene-1,4-diamine?
4-N-(2,4-difluorophenyl)benzene-1,4-diamine has a molecular weight of 220.22 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-difluorophenyl)benzene-1,4-diamine is sourced from PubChem (CID 4764057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).