4-fluoro-2-iodobenzene-1,3-diamine

C6H6FIN2 — CID 135395533

IUPAC4-fluoro-2-iodobenzene-1,3-diamine
SMILESNc1ccc(F)c(N)c1I
InChIInChI=1S/C6H6FIN2/c7-3-1-2-4(9)5(8)6(3)10/h1-2H,9-10H2
InChIKeyKMXSWKWHZAJROD-UHFFFAOYSA-N
MW252.03 g/mol
LogP1.59
Rot. Bonds

About 4-fluoro-2-iodobenzene-1,3-diamine

4-fluoro-2-iodobenzene-1,3-diamine (PubChem CID 135395533) has the molecular formula C6H6FIN2 and a molecular weight of 252.03 g/mol. Its IUPAC name is 4-fluoro-2-iodobenzene-1,3-diamine.

Molecular Properties

Compound Name4-fluoro-2-iodobenzene-1,3-diamine
PubChem CID135395533
Molecular FormulaC6H6FIN2
Molecular Weight252.03 g/mol
Exact Mass251.96
IUPAC Name4-fluoro-2-iodobenzene-1,3-diamine
SMILESNc1ccc(F)c(N)c1I
InChIInChI=1S/C6H6FIN2/c7-3-1-2-4(9)5(8)6(3)10/h1-2H,9-10H2
InChIKeyKMXSWKWHZAJROD-UHFFFAOYSA-N
XLogP1.59
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.03
LogP ≤ 51.59
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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodobenzene-1,3-diamine?
The IUPAC name of 4-fluoro-2-iodobenzene-1,3-diamine (CID 135395533) is 4-fluoro-2-iodobenzene-1,3-diamine.
What is the SMILES notation for 4-fluoro-2-iodobenzene-1,3-diamine?
The canonical SMILES for 4-fluoro-2-iodobenzene-1,3-diamine is Nc1ccc(F)c(N)c1I.
What is the InChIKey of 4-fluoro-2-iodobenzene-1,3-diamine?
The InChIKey is KMXSWKWHZAJROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FIN2/c7-3-1-2-4(9)5(8)6(3)10/h1-2H,9-10H2.
What are the key properties of 4-fluoro-2-iodobenzene-1,3-diamine?
4-fluoro-2-iodobenzene-1,3-diamine has a molecular weight of 252.03 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodobenzene-1,3-diamine is sourced from PubChem (CID 135395533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).