3-amino-N-(2-fluorophenyl)-3-iminopropanimidoyl iodide

C9H9FIN3 — CID 123577723

IUPAC3-amino-N-(2-fluorophenyl)-3-iminopropanimidoyl iodide
SMILES[H]/N=C(\N)C/C(I)=N/c1ccccc1F
InChIInChI=1S/C9H9FIN3/c10-6-3-1-2-4-7(6)14-8(11)5-9(12)13/h1-4H,5H2,(H3,12,13)/b14-8-
InChIKeyIXLXVAWSWIMOCA-ZSOIEALJSA-N
MW305.09 g/mol
LogP2.62
Rot. Bonds3

About 3-amino-N-(2-fluorophenyl)-3-iminopropanimidoyl iodide

3-amino-N-(2-fluorophenyl)-3-iminopropanimidoyl iodide (PubChem CID 123577723) has the molecular formula C9H9FIN3 and a molecular weight of 305.09 g/mol. Its IUPAC name is 3-amino-N-(2-fluorophenyl)-3-iminopropanimidoyl iodide.

Molecular Properties

Compound Name3-amino-N-(2-fluorophenyl)-3-iminopropanimidoyl iodide
PubChem CID123577723
Molecular FormulaC9H9FIN3
Molecular Weight305.09 g/mol
Exact Mass304.98
IUPAC Name3-amino-N-(2-fluorophenyl)-3-iminopropanimidoyl iodide
SMILES[H]/N=C(\N)C/C(I)=N/c1ccccc1F
InChIInChI=1S/C9H9FIN3/c10-6-3-1-2-4-7(6)14-8(11)5-9(12)13/h1-4H,5H2,(H3,12,13)/b14-8-
InChIKeyIXLXVAWSWIMOCA-ZSOIEALJSA-N
XLogP2.62
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.09
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluoro-2-hydroxyphenyl)ethanimidamide
CID 83676622
dimethyl 2-(2-fluorophenyl)iminobutanedioate
CID 123352869
3-(2-fluorophenyl)sulfanylbutanimidamide
CID 60912658
N'-(2,3-difluorophenyl)benzenecarboximidamide
CID 63176604
bis(2-[2-(2-fluorophenyl)ethoxy]ethanimidamide);dihydrochloride
CID 67100780
N-amino-2-(2-aminophenyl)-N'-(2-fluorophenyl)benzenecarboximidamide
CID 135227661
3-(2-fluorophenoxy)pentanimidamide
CID 43368257
2,2,2-trifluoro-N-(2-fluorophenyl)ethanimidoyl bromide
CID 71390837
2-phenylethanimidamide
CID 27787
3-[(2,3-difluorophenyl)methyl-methylamino]propanimidamide
CID 43658900
2-(2-fluoro-N-methylsulfonylanilino)ethanimidamide
CID 99975396
3-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]propanimidamide
CID 62733411

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-fluorophenyl)-3-iminopropanimidoyl iodide?
The IUPAC name of 3-amino-N-(2-fluorophenyl)-3-iminopropanimidoyl iodide (CID 123577723) is 3-amino-N-(2-fluorophenyl)-3-iminopropanimidoyl iodide.
What is the SMILES notation for 3-amino-N-(2-fluorophenyl)-3-iminopropanimidoyl iodide?
The canonical SMILES for 3-amino-N-(2-fluorophenyl)-3-iminopropanimidoyl iodide is [H]/N=C(\N)C/C(I)=N/c1ccccc1F.
What is the InChIKey of 3-amino-N-(2-fluorophenyl)-3-iminopropanimidoyl iodide?
The InChIKey is IXLXVAWSWIMOCA-ZSOIEALJSA-N. The full InChI is InChI=1S/C9H9FIN3/c10-6-3-1-2-4-7(6)14-8(11)5-9(12)13/h1-4H,5H2,(H3,12,13)/b14-8-.
What are the key properties of 3-amino-N-(2-fluorophenyl)-3-iminopropanimidoyl iodide?
3-amino-N-(2-fluorophenyl)-3-iminopropanimidoyl iodide has a molecular weight of 305.09 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-fluorophenyl)-3-iminopropanimidoyl iodide is sourced from PubChem (CID 123577723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).