4-chloro-5-fluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine

C12H8ClF2IN2 — CID 79768709

IUPAC4-chloro-5-fluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine
SMILESNc1cc(Cl)c(F)cc1Nc1ccc(F)cc1I
InChIInChI=1S/C12H8ClF2IN2/c13-7-4-10(17)12(5-8(7)15)18-11-2-1-6(14)3-9(11)16/h1-5,18H,17H2
InChIKeyOQZKPFHQVGHIIH-UHFFFAOYSA-N
MW380.56 g/mol
LogP4.55
Rot. Bonds2

About 4-chloro-5-fluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine

4-chloro-5-fluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine (PubChem CID 79768709) has the molecular formula C12H8ClF2IN2 and a molecular weight of 380.56 g/mol. Its IUPAC name is 4-chloro-5-fluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-5-fluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine
PubChem CID79768709
Molecular FormulaC12H8ClF2IN2
Molecular Weight380.56 g/mol
Exact Mass379.94
IUPAC Name4-chloro-5-fluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine
SMILESNc1cc(Cl)c(F)cc1Nc1ccc(F)cc1I
InChIInChI=1S/C12H8ClF2IN2/c13-7-4-10(17)12(5-8(7)15)18-11-2-1-6(14)3-9(11)16/h1-5,18H,17H2
InChIKeyOQZKPFHQVGHIIH-UHFFFAOYSA-N
XLogP4.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-N-(2-bromo-5-fluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 107634444
2-N-(4-fluoro-2-iodophenyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83008637
3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine
CID 113325343
4-chloro-1-N-(4-chloro-3-fluorophenyl)-5-fluorobenzene-1,2-diamine
CID 66077226
1-N-(2,4-difluorophenyl)-2-iodobenzene-1,4-diamine
CID 66094766
1-N-(4-bromo-2-methylphenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 66077776
4-fluoro-N-(2-fluorophenyl)-2-iodoaniline
CID 152736255
4-chloro-5-fluoro-1-N-(4-methylsulfanylphenyl)benzene-1,2-diamine
CID 66078362
2-N-(3-chloro-4-fluorophenyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66102226
1-N-(4-tert-butylphenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 66077387
3-chloro-4-(4-fluoro-2-iodoanilino)benzenecarbothioamide
CID 79766712
4-chloro-1-N-(3-chloro-5-fluorophenyl)-5-fluorobenzene-1,2-diamine
CID 107363679

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-5-fluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine (CID 79768709) is 4-chloro-5-fluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-5-fluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-5-fluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine is Nc1cc(Cl)c(F)cc1Nc1ccc(F)cc1I.
What is the InChIKey of 4-chloro-5-fluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine?
The InChIKey is OQZKPFHQVGHIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2IN2/c13-7-4-10(17)12(5-8(7)15)18-11-2-1-6(14)3-9(11)16/h1-5,18H,17H2.
What are the key properties of 4-chloro-5-fluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine?
4-chloro-5-fluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine has a molecular weight of 380.56 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine is sourced from PubChem (CID 79768709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).