[(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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Related Compounds

CID 15986888
CID 15986888
CID 24853891
CID 24853891
CID 24853978
CID 24853978
CID 50925436
CID 50925436
CID 50993718
CID 50993718
CID 50993721
CID 50993721
CID 50993793
CID 50993793
CID 50993797
CID 50993797
CID 50993950
CID 50993950
CID 53323156
CID 53323156
CID 16078860
CID 16078860
CID 24853888
CID 24853888

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).