Ethoxy-(2-ethoxy-1,1-difluoro-2-oxoethyl)phosphinic acid

C₆H₁₁F₂O₅P — CID 57078250

About Ethoxy-(2-ethoxy-1,1-difluoro-2-oxoethyl)phosphinic acid

Ethoxy-(2-ethoxy-1,1-difluoro-2-oxoethyl)phosphinic acid (PubChem CID 57078250) has the molecular formula C₆H₁₁F₂O₅P and a molecular weight of 232.12 g/mol. Its IUPAC name is ethoxy-(2-ethoxy-1,1-difluoro-2-oxoethyl)phosphinic acid.

Molecular Properties

• Compound Name: Ethoxy-(2-ethoxy-1,1-difluoro-2-oxoethyl)phosphinic acid
• PubChem CID: 57078250
• Molecular Formula: C₆H₁₁F₂O₅P
• Molecular Weight: 232.12 g/mol
• Exact Mass: 232.03
• IUPAC Name: ethoxy-(2-ethoxy-1,1-difluoro-2-oxoethyl)phosphinic acid
• SMILES: CCOC(=O)C(F)(F)P(=O)(O)OCC
• InChI: InChI=1S/C6H11F2O5P/c1-3-12-5(9)6(7,8)14(10,11)13-4-2/h3-4H2,1-2H3,(H,10,11)
• InChIKey: FGBPXNQQESBKNJ-UHFFFAOYSA-N
• XLogP: 1.36
• TPSA: 72.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	232.12
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ethoxy-(2-ethoxy-1,1-difluoro-2-oxoethyl)phosphinic acid?

The IUPAC name of Ethoxy-(2-ethoxy-1,1-difluoro-2-oxoethyl)phosphinic acid (CID 57078250) is ethoxy-(2-ethoxy-1,1-difluoro-2-oxoethyl)phosphinic acid.

What is the SMILES notation for Ethoxy-(2-ethoxy-1,1-difluoro-2-oxoethyl)phosphinic acid?

The canonical SMILES for Ethoxy-(2-ethoxy-1,1-difluoro-2-oxoethyl)phosphinic acid is CCOC(=O)C(F)(F)P(=O)(O)OCC.

What is the InChIKey of Ethoxy-(2-ethoxy-1,1-difluoro-2-oxoethyl)phosphinic acid?

The InChIKey is FGBPXNQQESBKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2O5P/c1-3-12-5(9)6(7,8)14(10,11)13-4-2/h3-4H2,1-2H3,(H,10,11).

What are the key properties of Ethoxy-(2-ethoxy-1,1-difluoro-2-oxoethyl)phosphinic acid?

Ethoxy-(2-ethoxy-1,1-difluoro-2-oxoethyl)phosphinic acid has a molecular weight of 232.12 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethoxy-(2-ethoxy-1,1-difluoro-2-oxoethyl)phosphinic acid is sourced from PubChem (CID 57078250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 57078250 — identifiers, structure, computed properties (public domain)

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