4-fluoro-2-N-[1-(furan-2-yl)ethyl]-5-iodobenzene-1,2-diamine

C12H12FIN2O — CID 66101255

IUPAC4-fluoro-2-N-[1-(furan-2-yl)ethyl]-5-iodobenzene-1,2-diamine
SMILESCC(Nc1cc(F)c(I)cc1N)c1ccco1
InChIInChI=1S/C12H12FIN2O/c1-7(12-3-2-4-17-12)16-11-5-8(13)9(14)6-10(11)15/h2-7,16H,15H2,1H3
InChIKeyZBZPVPXIWWJGHQ-UHFFFAOYSA-N
MW346.14 g/mol
LogP3.78
Rot. Bonds3

About 4-fluoro-2-N-[1-(furan-2-yl)ethyl]-5-iodobenzene-1,2-diamine

4-fluoro-2-N-[1-(furan-2-yl)ethyl]-5-iodobenzene-1,2-diamine (PubChem CID 66101255) has the molecular formula C12H12FIN2O and a molecular weight of 346.14 g/mol. Its IUPAC name is 4-fluoro-2-N-[1-(furan-2-yl)ethyl]-5-iodobenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-2-N-[1-(furan-2-yl)ethyl]-5-iodobenzene-1,2-diamine
PubChem CID66101255
Molecular FormulaC12H12FIN2O
Molecular Weight346.14 g/mol
Exact Mass346.00
IUPAC Name4-fluoro-2-N-[1-(furan-2-yl)ethyl]-5-iodobenzene-1,2-diamine
SMILESCC(Nc1cc(F)c(I)cc1N)c1ccco1
InChIInChI=1S/C12H12FIN2O/c1-7(12-3-2-4-17-12)16-11-5-8(13)9(14)6-10(11)15/h2-7,16H,15H2,1H3
InChIKeyZBZPVPXIWWJGHQ-UHFFFAOYSA-N
XLogP3.78
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.14
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43194896
2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43192518
4-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747303
2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoro-5-iodobenzene-1,2-diamine
CID 66099897
3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide
CID 82989046
4-bromo-2,6-difluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 65467932
2-(2-amino-5-fluoro-4-iodoanilino)propane-1,3-diol
CID 66102489
3-N-[1-(furan-2-yl)ethyl]benzene-1,3-diamine
CID 43535637
5-fluoro-4-N-[1-(furan-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80780792
2-(2-amino-5-fluoro-4-iodoanilino)butan-1-ol
CID 66099680
4-fluoro-5-iodo-2-N-phenylbenzene-1,2-diamine
CID 66101823
2-N-(2,3-dimethylbutyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101509

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-N-[1-(furan-2-yl)ethyl]-5-iodobenzene-1,2-diamine?
The IUPAC name of 4-fluoro-2-N-[1-(furan-2-yl)ethyl]-5-iodobenzene-1,2-diamine (CID 66101255) is 4-fluoro-2-N-[1-(furan-2-yl)ethyl]-5-iodobenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-2-N-[1-(furan-2-yl)ethyl]-5-iodobenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-2-N-[1-(furan-2-yl)ethyl]-5-iodobenzene-1,2-diamine is CC(Nc1cc(F)c(I)cc1N)c1ccco1.
What is the InChIKey of 4-fluoro-2-N-[1-(furan-2-yl)ethyl]-5-iodobenzene-1,2-diamine?
The InChIKey is ZBZPVPXIWWJGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FIN2O/c1-7(12-3-2-4-17-12)16-11-5-8(13)9(14)6-10(11)15/h2-7,16H,15H2,1H3.
What are the key properties of 4-fluoro-2-N-[1-(furan-2-yl)ethyl]-5-iodobenzene-1,2-diamine?
4-fluoro-2-N-[1-(furan-2-yl)ethyl]-5-iodobenzene-1,2-diamine has a molecular weight of 346.14 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-N-[1-(furan-2-yl)ethyl]-5-iodobenzene-1,2-diamine is sourced from PubChem (CID 66101255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).