[(E)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)prop-1-enyl]phosphonic acid

C7H8FN2O5P — CID 50993719

IUPAC[(E)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)prop-1-enyl]phosphonic acid
SMILESO=c1[nH]c(=O)n(C/C=C/P(=O)(O)O)cc1F
InChIInChI=1S/C7H8FN2O5P/c8-5-4-10(7(12)9-6(5)11)2-1-3-16(13,14)15/h1,3-4H,2H2,(H,9,11,12)(H2,13,14,15)/b3-1+
InChIKeyCJBKJLYOEANVKE-HNQUOIGGSA-N
MW250.12 g/mol
LogP-0.63
Rot. Bonds3

About [(E)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)prop-1-enyl]phosphonic acid

[(E)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)prop-1-enyl]phosphonic acid (PubChem CID 50993719) has the molecular formula C7H8FN2O5P and a molecular weight of 250.12 g/mol. Its IUPAC name is [(E)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)prop-1-enyl]phosphonic acid.

Molecular Properties

Compound Name[(E)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)prop-1-enyl]phosphonic acid
PubChem CID50993719
Molecular FormulaC7H8FN2O5P
Molecular Weight250.12 g/mol
Exact Mass250.02
IUPAC Name[(E)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)prop-1-enyl]phosphonic acid
SMILESO=c1[nH]c(=O)n(C/C=C/P(=O)(O)O)cc1F
InChIInChI=1S/C7H8FN2O5P/c8-5-4-10(7(12)9-6(5)11)2-1-3-16(13,14)15/h1,3-4H,2H2,(H,9,11,12)(H2,13,14,15)/b3-1+
InChIKeyCJBKJLYOEANVKE-HNQUOIGGSA-N
XLogP-0.63
TPSA112.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)prop-1-enyl]phosphonic acid?
The IUPAC name of [(E)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)prop-1-enyl]phosphonic acid (CID 50993719) is [(E)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)prop-1-enyl]phosphonic acid.
What is the SMILES notation for [(E)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)prop-1-enyl]phosphonic acid?
The canonical SMILES for [(E)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)prop-1-enyl]phosphonic acid is O=c1[nH]c(=O)n(C/C=C/P(=O)(O)O)cc1F.
What is the InChIKey of [(E)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)prop-1-enyl]phosphonic acid?
The InChIKey is CJBKJLYOEANVKE-HNQUOIGGSA-N. The full InChI is InChI=1S/C7H8FN2O5P/c8-5-4-10(7(12)9-6(5)11)2-1-3-16(13,14)15/h1,3-4H,2H2,(H,9,11,12)(H2,13,14,15)/b3-1+.
What are the key properties of [(E)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)prop-1-enyl]phosphonic acid?
[(E)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)prop-1-enyl]phosphonic acid has a molecular weight of 250.12 g/mol, XLogP of -0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)prop-1-enyl]phosphonic acid is sourced from PubChem (CID 50993719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).