N'-(5-fluoro-4-iodo-2-nitrophenyl)ethane-1,2-diamine

C8H9FIN3O2 — CID 66086750

IUPACN'-(5-fluoro-4-iodo-2-nitrophenyl)ethane-1,2-diamine
SMILESNCCNc1cc(F)c(I)cc1[N+](=O)[O-]
InChIInChI=1S/C8H9FIN3O2/c9-5-3-7(12-2-1-11)8(13(14)15)4-6(5)10/h3-4,12H,1-2,11H2
InChIKeyBWNCPIUFHKBUGX-UHFFFAOYSA-N
MW325.08 g/mol
LogP1.71
Rot. Bonds4

About N'-(5-fluoro-4-iodo-2-nitrophenyl)ethane-1,2-diamine

N'-(5-fluoro-4-iodo-2-nitrophenyl)ethane-1,2-diamine (PubChem CID 66086750) has the molecular formula C8H9FIN3O2 and a molecular weight of 325.08 g/mol. Its IUPAC name is N'-(5-fluoro-4-iodo-2-nitrophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-fluoro-4-iodo-2-nitrophenyl)ethane-1,2-diamine
PubChem CID66086750
Molecular FormulaC8H9FIN3O2
Molecular Weight325.08 g/mol
Exact Mass324.97
IUPAC NameN'-(5-fluoro-4-iodo-2-nitrophenyl)ethane-1,2-diamine
SMILESNCCNc1cc(F)c(I)cc1[N+](=O)[O-]
InChIInChI=1S/C8H9FIN3O2/c9-5-3-7(12-2-1-11)8(13(14)15)4-6(5)10/h3-4,12H,1-2,11H2
InChIKeyBWNCPIUFHKBUGX-UHFFFAOYSA-N
XLogP1.71
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.08
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N-hexyl-4-iodo-2-nitroaniline
CID 66101044
N-ethyl-N'-(5-fluoro-4-iodo-2-nitrophenyl)propane-1,3-diamine
CID 66100467
5-fluoro-4-iodo-N-(4-methylpentyl)-2-nitroaniline
CID 66101220
N',N'-diethyl-N-(5-fluoro-4-iodo-2-nitrophenyl)ethane-1,2-diamine
CID 66101013
1-N-(5-fluoro-4-iodo-2-nitrophenyl)propane-1,2-diamine
CID 66100865
5-fluoro-4-iodo-N-(5-methylhexyl)-2-nitroaniline
CID 115326179
1-(5-fluoro-4-iodo-2-nitroanilino)-2-methylpropan-2-ol
CID 66101833
5-fluoro-4-iodo-2-nitro-N-(2-prop-2-ynylsulfanylethyl)aniline
CID 106430576
5-fluoro-4-iodo-2-nitro-N-(2-phenylsulfanylethyl)aniline
CID 66101804
5-fluoro-4-iodo-N-methyl-2-nitroaniline
CID 66100620
5-fluoro-4-iodo-2-nitro-N-(2-thiomorpholin-4-ylethyl)aniline
CID 106326043
5-fluoro-4-iodo-2-nitro-N-(thiophen-3-ylmethyl)aniline
CID 66100254

Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-4-iodo-2-nitrophenyl)ethane-1,2-diamine?
The IUPAC name of N'-(5-fluoro-4-iodo-2-nitrophenyl)ethane-1,2-diamine (CID 66086750) is N'-(5-fluoro-4-iodo-2-nitrophenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(5-fluoro-4-iodo-2-nitrophenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(5-fluoro-4-iodo-2-nitrophenyl)ethane-1,2-diamine is NCCNc1cc(F)c(I)cc1[N+](=O)[O-].
What is the InChIKey of N'-(5-fluoro-4-iodo-2-nitrophenyl)ethane-1,2-diamine?
The InChIKey is BWNCPIUFHKBUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FIN3O2/c9-5-3-7(12-2-1-11)8(13(14)15)4-6(5)10/h3-4,12H,1-2,11H2.
What are the key properties of N'-(5-fluoro-4-iodo-2-nitrophenyl)ethane-1,2-diamine?
N'-(5-fluoro-4-iodo-2-nitrophenyl)ethane-1,2-diamine has a molecular weight of 325.08 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-4-iodo-2-nitrophenyl)ethane-1,2-diamine is sourced from PubChem (CID 66086750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).