4-diethoxyphosphoryl-4,4-difluorobuta-1,2-diene

C8H13F2O3P — CID 14268064

IUPAC4-diethoxyphosphoryl-4,4-difluorobuta-1,2-diene
SMILESC=C=CC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C8H13F2O3P/c1-4-7-8(9,10)14(11,12-5-2)13-6-3/h7H,1,5-6H2,2-3H3
InChIKeyGXBHQTBXMMOUHU-UHFFFAOYSA-N
MW226.16 g/mol
LogP3.19
Rot. Bonds6

About 4-diethoxyphosphoryl-4,4-difluorobuta-1,2-diene

4-diethoxyphosphoryl-4,4-difluorobuta-1,2-diene (PubChem CID 14268064) has the molecular formula C8H13F2O3P and a molecular weight of 226.16 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-4,4-difluorobuta-1,2-diene.

Molecular Properties

Compound Name4-diethoxyphosphoryl-4,4-difluorobuta-1,2-diene
PubChem CID14268064
Molecular FormulaC8H13F2O3P
Molecular Weight226.16 g/mol
Exact Mass226.06
IUPAC Name4-diethoxyphosphoryl-4,4-difluorobuta-1,2-diene
SMILESC=C=CC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C8H13F2O3P/c1-4-7-8(9,10)14(11,12-5-2)13-6-3/h7H,1,5-6H2,2-3H3
InChIKeyGXBHQTBXMMOUHU-UHFFFAOYSA-N
XLogP3.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.16
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphoryl-4,4-difluorobuta-1,2-diene?
The IUPAC name of 4-diethoxyphosphoryl-4,4-difluorobuta-1,2-diene (CID 14268064) is 4-diethoxyphosphoryl-4,4-difluorobuta-1,2-diene.
What is the SMILES notation for 4-diethoxyphosphoryl-4,4-difluorobuta-1,2-diene?
The canonical SMILES for 4-diethoxyphosphoryl-4,4-difluorobuta-1,2-diene is C=C=CC(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of 4-diethoxyphosphoryl-4,4-difluorobuta-1,2-diene?
The InChIKey is GXBHQTBXMMOUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2O3P/c1-4-7-8(9,10)14(11,12-5-2)13-6-3/h7H,1,5-6H2,2-3H3.
What are the key properties of 4-diethoxyphosphoryl-4,4-difluorobuta-1,2-diene?
4-diethoxyphosphoryl-4,4-difluorobuta-1,2-diene has a molecular weight of 226.16 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-4,4-difluorobuta-1,2-diene is sourced from PubChem (CID 14268064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).