1-[[diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]oxyethane

C9H21FO6P2 — CID 10935649

IUPAC1-[[diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]oxyethane
SMILESCCOP(=O)(OCC)C(F)P(=O)(OCC)OCC
InChIInChI=1S/C9H21FO6P2/c1-5-13-17(11,14-6-2)9(10)18(12,15-7-3)16-8-4/h9H,5-8H2,1-4H3
InChIKeyCUUFRGSKZDJQKW-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.77
Rot. Bonds10

About 1-[[diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]oxyethane

1-[[diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]oxyethane (PubChem CID 10935649) has the molecular formula C9H21FO6P2 and a molecular weight of 306.21 g/mol. Its IUPAC name is 1-[[diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]oxyethane.

Molecular Properties

Compound Name1-[[diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]oxyethane
PubChem CID10935649
Molecular FormulaC9H21FO6P2
Molecular Weight306.21 g/mol
Exact Mass306.08
IUPAC Name1-[[diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]oxyethane
SMILESCCOP(=O)(OCC)C(F)P(=O)(OCC)OCC
InChIInChI=1S/C9H21FO6P2/c1-5-13-17(11,14-6-2)9(10)18(12,15-7-3)16-8-4/h9H,5-8H2,1-4H3
InChIKeyCUUFRGSKZDJQKW-UHFFFAOYSA-N
XLogP3.77
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]oxyethane?
The IUPAC name of 1-[[diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]oxyethane (CID 10935649) is 1-[[diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]oxyethane.
What is the SMILES notation for 1-[[diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]oxyethane?
The canonical SMILES for 1-[[diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]oxyethane is CCOP(=O)(OCC)C(F)P(=O)(OCC)OCC.
What is the InChIKey of 1-[[diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]oxyethane?
The InChIKey is CUUFRGSKZDJQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21FO6P2/c1-5-13-17(11,14-6-2)9(10)18(12,15-7-3)16-8-4/h9H,5-8H2,1-4H3.
What are the key properties of 1-[[diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]oxyethane?
1-[[diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]oxyethane has a molecular weight of 306.21 g/mol, XLogP of 3.77, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]oxyethane is sourced from PubChem (CID 10935649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).