N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine

C₂₀H₁₃F₃INO — CID 102078024

About N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine

N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine (PubChem CID 102078024) has the molecular formula C₂₀H₁₃F₃INO and a molecular weight of 467.23 g/mol. Its IUPAC name is N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

• Compound Name: N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine
• PubChem CID: 102078024
• Molecular Formula: C₂₀H₁₃F₃INO
• Molecular Weight: 467.23 g/mol
• Exact Mass: 467.00
• IUPAC Name: N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine
• SMILES: FC(F)(F)c1ccc(Oc2ccccc2)c(/C=N/c2ccccc2I)c1
• InChI: InChI=1S/C20H13F3INO/c21-20(22,23)15-10-11-19(26-16-6-2-1-3-7-16)14(12-15)13-25-18-9-5-4-8-17(18)24/h1-13H/b25-13+
• InChIKey: YKCFSPBRVSIPNQ-DHRITJCHSA-N
• XLogP: 6.85
• TPSA: 21.59 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.23
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine?

The IUPAC name of N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine (CID 102078024) is N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine.

What is the SMILES notation for N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine?

The canonical SMILES for N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1ccc(Oc2ccccc2)c(/C=N/c2ccccc2I)c1.

What is the InChIKey of N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine?

The InChIKey is YKCFSPBRVSIPNQ-DHRITJCHSA-N. The full InChI is InChI=1S/C20H13F3INO/c21-20(22,23)15-10-11-19(26-16-6-2-1-3-7-16)14(12-15)13-25-18-9-5-4-8-17(18)24/h1-13H/b25-13+.

What are the key properties of N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine?

N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine has a molecular weight of 467.23 g/mol, XLogP of 6.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 102078024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 102078024 — identifiers, structure, computed properties (public domain)

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