2-[(4-fluoro-2-iodophenyl)methylideneamino]guanidine

C8H8FIN4 — CID 168591000

IUPAC2-[(4-fluoro-2-iodophenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(F)cc1I
InChIInChI=1S/C8H8FIN4/c9-6-2-1-5(7(10)3-6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)
InChIKeyKOXQFTXWWXLPAD-UHFFFAOYSA-N
MW306.08 g/mol
LogP1.04
Rot. Bonds2

About 2-[(4-fluoro-2-iodophenyl)methylideneamino]guanidine

2-[(4-fluoro-2-iodophenyl)methylideneamino]guanidine (PubChem CID 168591000) has the molecular formula C8H8FIN4 and a molecular weight of 306.08 g/mol. Its IUPAC name is 2-[(4-fluoro-2-iodophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(4-fluoro-2-iodophenyl)methylideneamino]guanidine
PubChem CID168591000
Molecular FormulaC8H8FIN4
Molecular Weight306.08 g/mol
Exact Mass305.98
IUPAC Name2-[(4-fluoro-2-iodophenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(F)cc1I
InChIInChI=1S/C8H8FIN4/c9-6-2-1-5(7(10)3-6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)
InChIKeyKOXQFTXWWXLPAD-UHFFFAOYSA-N
XLogP1.04
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.08
LogP ≤ 51.04
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-iodophenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(4-fluoro-2-iodophenyl)methylideneamino]guanidine (CID 168591000) is 2-[(4-fluoro-2-iodophenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(4-fluoro-2-iodophenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(4-fluoro-2-iodophenyl)methylideneamino]guanidine is NC(N)=NN=Cc1ccc(F)cc1I.
What is the InChIKey of 2-[(4-fluoro-2-iodophenyl)methylideneamino]guanidine?
The InChIKey is KOXQFTXWWXLPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FIN4/c9-6-2-1-5(7(10)3-6)4-13-14-8(11)12/h1-4H,(H4,11,12,14).
What are the key properties of 2-[(4-fluoro-2-iodophenyl)methylideneamino]guanidine?
2-[(4-fluoro-2-iodophenyl)methylideneamino]guanidine has a molecular weight of 306.08 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-iodophenyl)methylideneamino]guanidine is sourced from PubChem (CID 168591000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).