(E)-1-diethoxyphosphoryl-1,1-difluoronon-2-ene

C13H25F2O3P — CID 11637975

IUPAC(E)-1-diethoxyphosphoryl-1,1-difluoronon-2-ene
SMILESCCCCCC/C=C/C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C13H25F2O3P/c1-4-7-8-9-10-11-12-13(14,15)19(16,17-5-2)18-6-3/h11-12H,4-10H2,1-3H3/b12-11+
InChIKeyWAHLXLIYHUEVJB-VAWYXSNFSA-N
MW298.31 g/mol
LogP5.37
Rot. Bonds11

About (E)-1-diethoxyphosphoryl-1,1-difluoronon-2-ene

(E)-1-diethoxyphosphoryl-1,1-difluoronon-2-ene (PubChem CID 11637975) has the molecular formula C13H25F2O3P and a molecular weight of 298.31 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-1,1-difluoronon-2-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-1,1-difluoronon-2-ene
PubChem CID11637975
Molecular FormulaC13H25F2O3P
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC Name(E)-1-diethoxyphosphoryl-1,1-difluoronon-2-ene
SMILESCCCCCC/C=C/C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C13H25F2O3P/c1-4-7-8-9-10-11-12-13(14,15)19(16,17-5-2)18-6-3/h11-12H,4-10H2,1-3H3/b12-11+
InChIKeyWAHLXLIYHUEVJB-VAWYXSNFSA-N
XLogP5.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.31
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

((E)-1,1-Difluoro-hept-2-enyl)-phosphonic acid diethyl ester
CID 10539959
(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene
CID 100929330
[(E)-oct-2-enyl] bis(2,2,2-trifluoroethyl) phosphate
CID 11036077
(E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene
CID 14268060
(E)-1-diethoxyphosphoryl-1-fluoronon-2-ene
CID 15449246
diethyl [(5E)-6,7,7,8,8,9,9,10,10,11,11,12,12,12-tetradecafluorododeca-1,5-dien-5-yl] phosphate
CID 134932308
(Z)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene
CID 139264136
(E)-1-diethoxyphosphoryl-5-fluoropentadec-2-ene
CID 154714406
[(E)-1,1-difluorodec-3-en-2-yl] diethyl phosphate
CID 176437754
(E)-1-diethoxyphosphoryloct-2-ene
CID 10444695
(Cyclohex-1-enyl-difluoro-methyl)-phosphonic acid diethyl ester
CID 10563797
(Z)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene
CID 15786804

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-1,1-difluoronon-2-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-1,1-difluoronon-2-ene (CID 11637975) is (E)-1-diethoxyphosphoryl-1,1-difluoronon-2-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-1,1-difluoronon-2-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-1,1-difluoronon-2-ene is CCCCCC/C=C/C(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-1,1-difluoronon-2-ene?
The InChIKey is WAHLXLIYHUEVJB-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H25F2O3P/c1-4-7-8-9-10-11-12-13(14,15)19(16,17-5-2)18-6-3/h11-12H,4-10H2,1-3H3/b12-11+.
What are the key properties of (E)-1-diethoxyphosphoryl-1,1-difluoronon-2-ene?
(E)-1-diethoxyphosphoryl-1,1-difluoronon-2-ene has a molecular weight of 298.31 g/mol, XLogP of 5.37, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-1,1-difluoronon-2-ene is sourced from PubChem (CID 11637975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).