(3E)-5-diethoxyphosphoryl-5,5-difluoropenta-1,3-diene

C9H15F2O3P — CID 101129284

IUPAC(3E)-5-diethoxyphosphoryl-5,5-difluoropenta-1,3-diene
SMILESC=C/C=C/C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C9H15F2O3P/c1-4-7-8-9(10,11)15(12,13-5-2)14-6-3/h4,7-8H,1,5-6H2,2-3H3/b8-7+
InChIKeyHUJNFFZUXXXORR-BQYQJAHWSA-N
MW240.19 g/mol
LogP3.59
Rot. Bonds7

About (3E)-5-diethoxyphosphoryl-5,5-difluoropenta-1,3-diene

(3E)-5-diethoxyphosphoryl-5,5-difluoropenta-1,3-diene (PubChem CID 101129284) has the molecular formula C9H15F2O3P and a molecular weight of 240.19 g/mol. Its IUPAC name is (3E)-5-diethoxyphosphoryl-5,5-difluoropenta-1,3-diene.

Molecular Properties

Compound Name(3E)-5-diethoxyphosphoryl-5,5-difluoropenta-1,3-diene
PubChem CID101129284
Molecular FormulaC9H15F2O3P
Molecular Weight240.19 g/mol
Exact Mass240.07
IUPAC Name(3E)-5-diethoxyphosphoryl-5,5-difluoropenta-1,3-diene
SMILESC=C/C=C/C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C9H15F2O3P/c1-4-7-8-9(10,11)15(12,13-5-2)14-6-3/h4,7-8H,1,5-6H2,2-3H3/b8-7+
InChIKeyHUJNFFZUXXXORR-BQYQJAHWSA-N
XLogP3.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl(1,1-difluoro-3-butenyl)phosphonate
CID 10353710
3-Diethoxyphosphoryl-3,3-difluoroprop-1-ene
CID 15418131
(1Z)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene
CID 135080814
(1E)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene
CID 135080968
(E)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]but-2-ene
CID 87699622
1-[Prop-1-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene
CID 91307337
(3E)-3-diethoxyphosphorylpenta-1,3-diene
CID 134917669
(3E)-4-diethoxyphosphoryl-3-(trifluoromethyl)penta-1,3-diene
CID 11254278
Diethyl (1,1-difluorobuta-2,3-dien-1-yl)phosphonate
CID 14268064
1-Diethoxyphosphoryl-1,1-difluoropenta-2,3-diene
CID 101098287
3-Diethoxyphosphorylpenta-1,3-diene
CID 86179260
4-Diethoxyphosphorylpenta-1,3-diene
CID 140443355

Frequently Asked Questions

What is the IUPAC name of (3E)-5-diethoxyphosphoryl-5,5-difluoropenta-1,3-diene?
The IUPAC name of (3E)-5-diethoxyphosphoryl-5,5-difluoropenta-1,3-diene (CID 101129284) is (3E)-5-diethoxyphosphoryl-5,5-difluoropenta-1,3-diene.
What is the SMILES notation for (3E)-5-diethoxyphosphoryl-5,5-difluoropenta-1,3-diene?
The canonical SMILES for (3E)-5-diethoxyphosphoryl-5,5-difluoropenta-1,3-diene is C=C/C=C/C(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of (3E)-5-diethoxyphosphoryl-5,5-difluoropenta-1,3-diene?
The InChIKey is HUJNFFZUXXXORR-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H15F2O3P/c1-4-7-8-9(10,11)15(12,13-5-2)14-6-3/h4,7-8H,1,5-6H2,2-3H3/b8-7+.
What are the key properties of (3E)-5-diethoxyphosphoryl-5,5-difluoropenta-1,3-diene?
(3E)-5-diethoxyphosphoryl-5,5-difluoropenta-1,3-diene has a molecular weight of 240.19 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-diethoxyphosphoryl-5,5-difluoropenta-1,3-diene is sourced from PubChem (CID 101129284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).