1-diethoxyphosphoryl-1,1-difluorohepta-2,3-diene

C11H19F2O3P — CID 101098289

IUPAC1-diethoxyphosphoryl-1,1-difluorohepta-2,3-diene
SMILESCCCC=C=CC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C11H19F2O3P/c1-4-7-8-9-10-11(12,13)17(14,15-5-2)16-6-3/h8,10H,4-7H2,1-3H3
InChIKeyYKJSDUBOVAXNEL-UHFFFAOYSA-N
MW268.24 g/mol
LogP4.36
Rot. Bonds8

About 1-diethoxyphosphoryl-1,1-difluorohepta-2,3-diene

1-diethoxyphosphoryl-1,1-difluorohepta-2,3-diene (PubChem CID 101098289) has the molecular formula C11H19F2O3P and a molecular weight of 268.24 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1,1-difluorohepta-2,3-diene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1,1-difluorohepta-2,3-diene
PubChem CID101098289
Molecular FormulaC11H19F2O3P
Molecular Weight268.24 g/mol
Exact Mass268.10
IUPAC Name1-diethoxyphosphoryl-1,1-difluorohepta-2,3-diene
SMILESCCCC=C=CC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C11H19F2O3P/c1-4-7-8-9-10-11(12,13)17(14,15-5-2)16-6-3/h8,10H,4-7H2,1-3H3
InChIKeyYKJSDUBOVAXNEL-UHFFFAOYSA-N
XLogP4.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-diethoxyphosphoryl-1,1-difluorohepta-2,3-diene with MolForge

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

Launch Full Analysis

Related Compounds

Diethyl(1,1-difluoro-3-butenyl)phosphonate
CID 10353710
((E)-1,1-Difluoro-hept-2-enyl)-phosphonic acid diethyl ester
CID 10539959
(Z)-1-diethoxyphosphoryl-2,3,3,4,4,4-hexafluorobut-1-ene
CID 13196904
(E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene
CID 14268060
4-Diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene
CID 14268063
O,O-diethyl (1-fluorobut-1-enyl)phosphonate
CID 129879750
(Z)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene
CID 139264136
But-1-en-2-yl-oxo-(2,2,2-trifluoroethoxy)phosphanium
CID 87623279
1-Diethoxyphosphoryl-1,1-difluoro-4-methylpenta-2,3-diene
CID 101098290
Hex-1-enyl-oxo-(2,2,2-trifluoroethoxy)phosphanium
CID 154510730
4-Diethoxyphosphoryl-1,1,2,3,3,4,4-heptafluorobut-1-ene
CID 166760656
2-[Bis(2,2,2-trifluoroethoxy)phosphoryl]oct-1-ene
CID 175713391

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-1,1-difluorohepta-2,3-diene?
The IUPAC name of 1-diethoxyphosphoryl-1,1-difluorohepta-2,3-diene (CID 101098289) is 1-diethoxyphosphoryl-1,1-difluorohepta-2,3-diene.
What is the SMILES notation for 1-diethoxyphosphoryl-1,1-difluorohepta-2,3-diene?
The canonical SMILES for 1-diethoxyphosphoryl-1,1-difluorohepta-2,3-diene is CCCC=C=CC(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-1,1-difluorohepta-2,3-diene?
The InChIKey is YKJSDUBOVAXNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2O3P/c1-4-7-8-9-10-11(12,13)17(14,15-5-2)16-6-3/h8,10H,4-7H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-1,1-difluorohepta-2,3-diene?
1-diethoxyphosphoryl-1,1-difluorohepta-2,3-diene has a molecular weight of 268.24 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1,1-difluorohepta-2,3-diene is sourced from PubChem (CID 101098289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).