(Z)-3-[4-ethanimidoyl-3-(iodophosphanylamino)phenyl]-2-fluoroprop-2-enal

C11H11FIN2OP — CID 176936796

IUPAC(Z)-3-[4-ethanimidoyl-3-(iodophosphanylamino)phenyl]-2-fluoroprop-2-enal
SMILES[H]/N=C(\C)c1ccc(/C=C(\F)C=O)cc1NPI
InChIInChI=1S/C11H11FIN2OP/c1-7(14)10-3-2-8(4-9(12)6-16)5-11(10)15-17-13/h2-6,14-15,17H,1H3/b9-4-,14-7+
InChIKeyGLCNLXQEJTVHAB-SVUSSXSOSA-N
MW364.10 g/mol
LogP3.94
Rot. Bonds5

About (Z)-3-[4-ethanimidoyl-3-(iodophosphanylamino)phenyl]-2-fluoroprop-2-enal

(Z)-3-[4-ethanimidoyl-3-(iodophosphanylamino)phenyl]-2-fluoroprop-2-enal (PubChem CID 176936796) has the molecular formula C11H11FIN2OP and a molecular weight of 364.10 g/mol. Its IUPAC name is (Z)-3-[4-ethanimidoyl-3-(iodophosphanylamino)phenyl]-2-fluoroprop-2-enal.

Molecular Properties

Compound Name(Z)-3-[4-ethanimidoyl-3-(iodophosphanylamino)phenyl]-2-fluoroprop-2-enal
PubChem CID176936796
Molecular FormulaC11H11FIN2OP
Molecular Weight364.10 g/mol
Exact Mass363.96
IUPAC Name(Z)-3-[4-ethanimidoyl-3-(iodophosphanylamino)phenyl]-2-fluoroprop-2-enal
SMILES[H]/N=C(\C)c1ccc(/C=C(\F)C=O)cc1NPI
InChIInChI=1S/C11H11FIN2OP/c1-7(14)10-3-2-8(4-9(12)6-16)5-11(10)15-17-13/h2-6,14-15,17H,1H3/b9-4-,14-7+
InChIKeyGLCNLXQEJTVHAB-SVUSSXSOSA-N
XLogP3.94
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.10
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (Z)-3-[4-ethanimidoyl-3-(iodophosphanylamino)phenyl]-2-fluoroprop-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-ethanimidoyl-3-(iodophosphanylamino)phenyl]-2-fluoroprop-2-enal?
The IUPAC name of (Z)-3-[4-ethanimidoyl-3-(iodophosphanylamino)phenyl]-2-fluoroprop-2-enal (CID 176936796) is (Z)-3-[4-ethanimidoyl-3-(iodophosphanylamino)phenyl]-2-fluoroprop-2-enal.
What is the SMILES notation for (Z)-3-[4-ethanimidoyl-3-(iodophosphanylamino)phenyl]-2-fluoroprop-2-enal?
The canonical SMILES for (Z)-3-[4-ethanimidoyl-3-(iodophosphanylamino)phenyl]-2-fluoroprop-2-enal is [H]/N=C(\C)c1ccc(/C=C(\F)C=O)cc1NPI.
What is the InChIKey of (Z)-3-[4-ethanimidoyl-3-(iodophosphanylamino)phenyl]-2-fluoroprop-2-enal?
The InChIKey is GLCNLXQEJTVHAB-SVUSSXSOSA-N. The full InChI is InChI=1S/C11H11FIN2OP/c1-7(14)10-3-2-8(4-9(12)6-16)5-11(10)15-17-13/h2-6,14-15,17H,1H3/b9-4-,14-7+.
What are the key properties of (Z)-3-[4-ethanimidoyl-3-(iodophosphanylamino)phenyl]-2-fluoroprop-2-enal?
(Z)-3-[4-ethanimidoyl-3-(iodophosphanylamino)phenyl]-2-fluoroprop-2-enal has a molecular weight of 364.10 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-ethanimidoyl-3-(iodophosphanylamino)phenyl]-2-fluoroprop-2-enal is sourced from PubChem (CID 176936796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).