[(E)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)but-2-enyl]phosphonic acid

C8H10FN2O5P — CID 50993797

IUPAC[(E)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)but-2-enyl]phosphonic acid
SMILESO=c1[nH]c(=O)n(C/C=C/CP(=O)(O)O)cc1F
InChIInChI=1S/C8H10FN2O5P/c9-6-5-11(8(13)10-7(6)12)3-1-2-4-17(14,15)16/h1-2,5H,3-4H2,(H,10,12,13)(H2,14,15,16)/b2-1+
InChIKeyHQXXZZRCJPJFHM-OWOJBTEDSA-N
MW264.15 g/mol
LogP-0.59
Rot. Bonds4

About [(E)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)but-2-enyl]phosphonic acid

[(E)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)but-2-enyl]phosphonic acid (PubChem CID 50993797) has the molecular formula C8H10FN2O5P and a molecular weight of 264.15 g/mol. Its IUPAC name is [(E)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)but-2-enyl]phosphonic acid.

Molecular Properties

Compound Name[(E)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)but-2-enyl]phosphonic acid
PubChem CID50993797
Molecular FormulaC8H10FN2O5P
Molecular Weight264.15 g/mol
Exact Mass264.03
IUPAC Name[(E)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)but-2-enyl]phosphonic acid
SMILESO=c1[nH]c(=O)n(C/C=C/CP(=O)(O)O)cc1F
InChIInChI=1S/C8H10FN2O5P/c9-6-5-11(8(13)10-7(6)12)3-1-2-4-17(14,15)16/h1-2,5H,3-4H2,(H,10,12,13)(H2,14,15,16)/b2-1+
InChIKeyHQXXZZRCJPJFHM-OWOJBTEDSA-N
XLogP-0.59
TPSA112.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)but-2-enyl]phosphonic acid?
The IUPAC name of [(E)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)but-2-enyl]phosphonic acid (CID 50993797) is [(E)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)but-2-enyl]phosphonic acid.
What is the SMILES notation for [(E)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)but-2-enyl]phosphonic acid?
The canonical SMILES for [(E)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)but-2-enyl]phosphonic acid is O=c1[nH]c(=O)n(C/C=C/CP(=O)(O)O)cc1F.
What is the InChIKey of [(E)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)but-2-enyl]phosphonic acid?
The InChIKey is HQXXZZRCJPJFHM-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H10FN2O5P/c9-6-5-11(8(13)10-7(6)12)3-1-2-4-17(14,15)16/h1-2,5H,3-4H2,(H,10,12,13)(H2,14,15,16)/b2-1+.
What are the key properties of [(E)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)but-2-enyl]phosphonic acid?
[(E)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)but-2-enyl]phosphonic acid has a molecular weight of 264.15 g/mol, XLogP of -0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)but-2-enyl]phosphonic acid is sourced from PubChem (CID 50993797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).