Methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate

C₁₈H₁₆F₃NO₄ — CID 6520923

About Methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate

Methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate (PubChem CID 6520923) has the molecular formula C₁₈H₁₆F₃NO₄ and a molecular weight of 367.32 g/mol. Its IUPAC name is methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate.

Molecular Properties

• Compound Name: Methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate
• PubChem CID: 6520923
• Molecular Formula: C₁₈H₁₆F₃NO₄
• Molecular Weight: 367.32 g/mol
• Exact Mass: 367.10
• IUPAC Name: methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate
• SMILES: CO/N=C(/C(=O)OC)c1ccccc1COc1ccccc1C(F)(F)F
• InChI: InChI=1S/C18H16F3NO4/c1-24-17(23)16(22-25-2)13-8-4-3-7-12(13)11-26-15-10-6-5-9-14(15)18(19,20)21/h3-10H,11H2,1-2H3/b22-16+
• InChIKey: BMHRZODGWOUWQK-CJLVFECKSA-N
• XLogP: 3.81
• TPSA: 57.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.32
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate?

The IUPAC name of Methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate (CID 6520923) is methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate.

What is the SMILES notation for Methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate?

The canonical SMILES for Methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate is CO/N=C(/C(=O)OC)c1ccccc1COc1ccccc1C(F)(F)F.

What is the InChIKey of Methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate?

The InChIKey is BMHRZODGWOUWQK-CJLVFECKSA-N. The full InChI is InChI=1S/C18H16F3NO4/c1-24-17(23)16(22-25-2)13-8-4-3-7-12(13)11-26-15-10-6-5-9-14(15)18(19,20)21/h3-10H,11H2,1-2H3/b22-16+.

What are the key properties of Methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate?

Methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate has a molecular weight of 367.32 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate is sourced from PubChem (CID 6520923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6520923 — identifiers, structure, computed properties (public domain)

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