(E)-1-diethoxyphosphoryl-1-fluorobut-1-ene

C₈H₁₆FO₃P — CID 15370531

About (E)-1-diethoxyphosphoryl-1-fluorobut-1-ene

(E)-1-diethoxyphosphoryl-1-fluorobut-1-ene (PubChem CID 15370531) has the molecular formula C₈H₁₆FO₃P and a molecular weight of 210.18 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-1-fluorobut-1-ene.

Molecular Properties

• Compound Name: (E)-1-diethoxyphosphoryl-1-fluorobut-1-ene
• PubChem CID: 15370531
• Molecular Formula: C₈H₁₆FO₃P
• Molecular Weight: 210.18 g/mol
• Exact Mass: 210.08
• IUPAC Name: (E)-1-diethoxyphosphoryl-1-fluorobut-1-ene
• SMILES: CC/C=C(\F)P(=O)(OCC)OCC
• InChI: InChI=1S/C8H16FO3P/c1-4-7-8(9)13(10,11-5-2)12-6-3/h7H,4-6H2,1-3H3/b8-7+
• InChIKey: MVKMCLCKTTURPZ-BQYQJAHWSA-N
• XLogP: 3.47
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	210.18
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-1-fluorobut-1-ene?

The IUPAC name of (E)-1-diethoxyphosphoryl-1-fluorobut-1-ene (CID 15370531) is (E)-1-diethoxyphosphoryl-1-fluorobut-1-ene.

What is the SMILES notation for (E)-1-diethoxyphosphoryl-1-fluorobut-1-ene?

The canonical SMILES for (E)-1-diethoxyphosphoryl-1-fluorobut-1-ene is CC/C=C(\F)P(=O)(OCC)OCC.

What is the InChIKey of (E)-1-diethoxyphosphoryl-1-fluorobut-1-ene?

The InChIKey is MVKMCLCKTTURPZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H16FO3P/c1-4-7-8(9)13(10,11-5-2)12-6-3/h7H,4-6H2,1-3H3/b8-7+.

What are the key properties of (E)-1-diethoxyphosphoryl-1-fluorobut-1-ene?

(E)-1-diethoxyphosphoryl-1-fluorobut-1-ene has a molecular weight of 210.18 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-diethoxyphosphoryl-1-fluorobut-1-ene is sourced from PubChem (CID 15370531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15370531 — identifiers, structure, computed properties (public domain)

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