(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene

C10H20F2O6P2 — CID 14115301

IUPAC(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
SMILESCCOP(=O)(OCC)/C(F)=C(\F)P(=O)(OCC)OCC
InChIInChI=1S/C10H20F2O6P2/c1-5-15-19(13,16-6-2)9(11)10(12)20(14,17-7-3)18-8-4/h5-8H2,1-4H3/b10-9+
InChIKeyKBAKOABLJFQWME-MDZDMXLPSA-N
MW336.21 g/mol
LogP4.58
Rot. Bonds10

About (E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene

(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene (PubChem CID 14115301) has the molecular formula C10H20F2O6P2 and a molecular weight of 336.21 g/mol. Its IUPAC name is (E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene.

Molecular Properties

Compound Name(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
PubChem CID14115301
Molecular FormulaC10H20F2O6P2
Molecular Weight336.21 g/mol
Exact Mass336.07
IUPAC Name(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
SMILESCCOP(=O)(OCC)/C(F)=C(\F)P(=O)(OCC)OCC
InChIInChI=1S/C10H20F2O6P2/c1-5-15-19(13,16-6-2)9(11)10(12)20(14,17-7-3)18-8-4/h5-8H2,1-4H3/b10-9+
InChIKeyKBAKOABLJFQWME-MDZDMXLPSA-N
XLogP4.58
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 54.58
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

(E)-2-diethoxyphosphoryl-1-ethoxy-2-fluoroethenolate
CID 134863006
(E)-1-diethoxyphosphoryl-1-fluoro-2,3-diiodoprop-1-ene
CID 10789609
lithium (E)-2-diethoxyphosphoryl-2-fluoro-1-methylsulfanylethenethiolate
CID 11817964
bis(diethoxyphosphoryl)methanimine
CID 87803281
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
[(Z)-1-diethoxyphosphoryl-1-fluorobut-1-en-2-yl]sulfanylbenzene
CID 101038517
1-diethoxyphosphoryl-3-fluoropropan-1-one
CID 71349176
1-chloro-1-diethoxyphosphorylethene
CID 11481045
(Z)-1-chloro-1-diethoxyphosphorylprop-1-ene
CID 10798622
diethoxyphosphorylcarbonyl(trihydroxy)phosphanium
CID 57080631
1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid
CID 87482421
azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate
CID 173014442

Frequently Asked Questions

What is the IUPAC name of (E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene?
The IUPAC name of (E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene (CID 14115301) is (E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene.
What is the SMILES notation for (E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene?
The canonical SMILES for (E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene is CCOP(=O)(OCC)/C(F)=C(\F)P(=O)(OCC)OCC.
What is the InChIKey of (E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene?
The InChIKey is KBAKOABLJFQWME-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H20F2O6P2/c1-5-15-19(13,16-6-2)9(11)10(12)20(14,17-7-3)18-8-4/h5-8H2,1-4H3/b10-9+.
What are the key properties of (E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene?
(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene has a molecular weight of 336.21 g/mol, XLogP of 4.58, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene is sourced from PubChem (CID 14115301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).