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

C9H20F2O6P2 — CID 11823499

IUPAC1-[[diethoxyphosphoryl(difluoro)methyl]-ethoxyphosphoryl]oxyethane
SMILESCCOP(=O)(OCC)C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C9H20F2O6P2/c1-5-14-18(12,15-6-2)9(10,11)19(13,16-7-3)17-8-4/h5-8H2,1-4H3
InChIKeyKEHWPFRPEUBPSH-UHFFFAOYSA-N
MW324.20 g/mol
LogP4.07
Rot. Bonds10

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

1-[[diethoxyphosphoryl(difluoro)methyl]-ethoxyphosphoryl]oxyethane (PubChem CID 11823499) has the molecular formula C9H20F2O6P2 and a molecular weight of 324.20 g/mol. Its IUPAC name is 1-[[diethoxyphosphoryl(difluoro)methyl]-ethoxyphosphoryl]oxyethane.

Molecular Properties

Compound Name1-[[diethoxyphosphoryl(difluoro)methyl]-ethoxyphosphoryl]oxyethane
PubChem CID11823499
Molecular FormulaC9H20F2O6P2
Molecular Weight324.20 g/mol
Exact Mass324.07
IUPAC Name1-[[diethoxyphosphoryl(difluoro)methyl]-ethoxyphosphoryl]oxyethane
SMILESCCOP(=O)(OCC)C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C9H20F2O6P2/c1-5-14-18(12,15-6-2)9(10,11)19(13,16-7-3)17-8-4/h5-8H2,1-4H3
InChIKeyKEHWPFRPEUBPSH-UHFFFAOYSA-N
XLogP4.07
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Tetraethyl methylenediphosphonate
CID 15455
Phosphonic acid, (difluoromethyl)-, diethyl ester
CID 2758305
Tetraethyl (fluoromethylene)bis(phosphonate)
CID 10935649
Trifluoromethylphosphonic acid diethyl ester
CID 12503717
Tetraisopropyl Difluoromethylenebisphosphonate
CID 11717839
Phosphonic acid, (2-hydroxytetrafluoroallyl)-, diethyl ester diethylphosphate (ester)
CID 3057425
(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
(Z)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115302
1-[Butoxy(trifluoromethyl)phosphoryl]oxybutane
CID 15750796
1-Diethoxyphosphoryl-1,1-difluoroethane
CID 13736768
[3-(Diethoxy-phosphoryl)-1,1,2,2,3,3-hexafluoro-propyl]-phosphonic acid diethyl ester
CID 9979741
[2-(Diethoxy-phosphoryl)-1,1,2,2-tetrafluoro-ethyl]-phosphonic acid diethyl ester
CID 10022267

Frequently Asked Questions

What is the IUPAC name of 1-[[diethoxyphosphoryl(difluoro)methyl]-ethoxyphosphoryl]oxyethane?
The IUPAC name of 1-[[diethoxyphosphoryl(difluoro)methyl]-ethoxyphosphoryl]oxyethane (CID 11823499) is 1-[[diethoxyphosphoryl(difluoro)methyl]-ethoxyphosphoryl]oxyethane.
What is the SMILES notation for 1-[[diethoxyphosphoryl(difluoro)methyl]-ethoxyphosphoryl]oxyethane?
The canonical SMILES for 1-[[diethoxyphosphoryl(difluoro)methyl]-ethoxyphosphoryl]oxyethane is CCOP(=O)(OCC)C(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of 1-[[diethoxyphosphoryl(difluoro)methyl]-ethoxyphosphoryl]oxyethane?
The InChIKey is KEHWPFRPEUBPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2O6P2/c1-5-14-18(12,15-6-2)9(10,11)19(13,16-7-3)17-8-4/h5-8H2,1-4H3.
What are the key properties of 1-[[diethoxyphosphoryl(difluoro)methyl]-ethoxyphosphoryl]oxyethane?
1-[[diethoxyphosphoryl(difluoro)methyl]-ethoxyphosphoryl]oxyethane has a molecular weight of 324.20 g/mol, XLogP of 4.07, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[diethoxyphosphoryl(difluoro)methyl]-ethoxyphosphoryl]oxyethane is sourced from PubChem (CID 11823499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).