1-[(E)-3-diethoxyphosphorylprop-2-enyl]-5-fluoropyrimidine-2,4-dione

C11H16FN2O5P — CID 50993718

IUPAC1-[(E)-3-diethoxyphosphorylprop-2-enyl]-5-fluoropyrimidine-2,4-dione
SMILESCCOP(=O)(/C=C/Cn1cc(F)c(=O)[nH]c1=O)OCC
InChIInChI=1S/C11H16FN2O5P/c1-3-18-20(17,19-4-2)7-5-6-14-8-9(12)10(15)13-11(14)16/h5,7-8H,3-4,6H2,1-2H3,(H,13,15,16)/b7-5+
InChIKeyOFPXUILNPYCWIG-FNORWQNLSA-N
MW306.23 g/mol
LogP1.46
Rot. Bonds7

About 1-[(E)-3-diethoxyphosphorylprop-2-enyl]-5-fluoropyrimidine-2,4-dione

1-[(E)-3-diethoxyphosphorylprop-2-enyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 50993718) has the molecular formula C11H16FN2O5P and a molecular weight of 306.23 g/mol. Its IUPAC name is 1-[(E)-3-diethoxyphosphorylprop-2-enyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-3-diethoxyphosphorylprop-2-enyl]-5-fluoropyrimidine-2,4-dione
PubChem CID50993718
Molecular FormulaC11H16FN2O5P
Molecular Weight306.23 g/mol
Exact Mass306.08
IUPAC Name1-[(E)-3-diethoxyphosphorylprop-2-enyl]-5-fluoropyrimidine-2,4-dione
SMILESCCOP(=O)(/C=C/Cn1cc(F)c(=O)[nH]c1=O)OCC
InChIInChI=1S/C11H16FN2O5P/c1-3-18-20(17,19-4-2)7-5-6-14-8-9(12)10(15)13-11(14)16/h5,7-8H,3-4,6H2,1-2H3,(H,13,15,16)/b7-5+
InChIKeyOFPXUILNPYCWIG-FNORWQNLSA-N
XLogP1.46
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-diethoxyphosphorylprop-2-enyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[(E)-3-diethoxyphosphorylprop-2-enyl]-5-fluoropyrimidine-2,4-dione (CID 50993718) is 1-[(E)-3-diethoxyphosphorylprop-2-enyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[(E)-3-diethoxyphosphorylprop-2-enyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[(E)-3-diethoxyphosphorylprop-2-enyl]-5-fluoropyrimidine-2,4-dione is CCOP(=O)(/C=C/Cn1cc(F)c(=O)[nH]c1=O)OCC.
What is the InChIKey of 1-[(E)-3-diethoxyphosphorylprop-2-enyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is OFPXUILNPYCWIG-FNORWQNLSA-N. The full InChI is InChI=1S/C11H16FN2O5P/c1-3-18-20(17,19-4-2)7-5-6-14-8-9(12)10(15)13-11(14)16/h5,7-8H,3-4,6H2,1-2H3,(H,13,15,16)/b7-5+.
What are the key properties of 1-[(E)-3-diethoxyphosphorylprop-2-enyl]-5-fluoropyrimidine-2,4-dione?
1-[(E)-3-diethoxyphosphorylprop-2-enyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 306.23 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-diethoxyphosphorylprop-2-enyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 50993718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).