4-diethoxyphosphoryl-4,4-difluorobut-1-ene

C8H15F2O3P — CID 10353710

IUPAC4-diethoxyphosphoryl-4,4-difluorobut-1-ene
SMILESC=CCC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C8H15F2O3P/c1-4-7-8(9,10)14(11,12-5-2)13-6-3/h4H,1,5-7H2,2-3H3
InChIKeyGQKMIOHMTTUEBM-UHFFFAOYSA-N
MW228.17 g/mol
LogP3.42
Rot. Bonds7

About 4-diethoxyphosphoryl-4,4-difluorobut-1-ene

4-diethoxyphosphoryl-4,4-difluorobut-1-ene (PubChem CID 10353710) has the molecular formula C8H15F2O3P and a molecular weight of 228.17 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-4,4-difluorobut-1-ene.

Molecular Properties

Compound Name4-diethoxyphosphoryl-4,4-difluorobut-1-ene
PubChem CID10353710
Molecular FormulaC8H15F2O3P
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC Name4-diethoxyphosphoryl-4,4-difluorobut-1-ene
SMILESC=CCC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C8H15F2O3P/c1-4-7-8(9,10)14(11,12-5-2)13-6-3/h4H,1,5-7H2,2-3H3
InChIKeyGQKMIOHMTTUEBM-UHFFFAOYSA-N
XLogP3.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-diethoxyphosphoryl-4,4-difluorobut-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphoryl-4,4-difluorobut-1-ene?
The IUPAC name of 4-diethoxyphosphoryl-4,4-difluorobut-1-ene (CID 10353710) is 4-diethoxyphosphoryl-4,4-difluorobut-1-ene.
What is the SMILES notation for 4-diethoxyphosphoryl-4,4-difluorobut-1-ene?
The canonical SMILES for 4-diethoxyphosphoryl-4,4-difluorobut-1-ene is C=CCC(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of 4-diethoxyphosphoryl-4,4-difluorobut-1-ene?
The InChIKey is GQKMIOHMTTUEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2O3P/c1-4-7-8(9,10)14(11,12-5-2)13-6-3/h4H,1,5-7H2,2-3H3.
What are the key properties of 4-diethoxyphosphoryl-4,4-difluorobut-1-ene?
4-diethoxyphosphoryl-4,4-difluorobut-1-ene has a molecular weight of 228.17 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-4,4-difluorobut-1-ene is sourced from PubChem (CID 10353710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).