[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2-fluorophenyl)methyl hydrogen phosphite

C16H17F2N2O6P — CID 139341135

IUPAC[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2-fluorophenyl)methyl hydrogen phosphite
SMILESO=c1[nH]c(=O)n(C2CCC(COP(O)OCc3ccccc3F)O2)cc1F
InChIInChI=1S/C16H17F2N2O6P/c17-12-4-2-1-3-10(12)8-24-27(23)25-9-11-5-6-14(26-11)20-7-13(18)15(21)19-16(20)22/h1-4,7,11,14,23H,5-6,8-9H2,(H,19,21,22)
InChIKeyBZVWWJRGPUWLMC-UHFFFAOYSA-N
MW402.29 g/mol
LogP1.95
Rot. Bonds7

About [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2-fluorophenyl)methyl hydrogen phosphite

[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2-fluorophenyl)methyl hydrogen phosphite (PubChem CID 139341135) has the molecular formula C16H17F2N2O6P and a molecular weight of 402.29 g/mol. Its IUPAC name is [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2-fluorophenyl)methyl hydrogen phosphite.

Molecular Properties

Compound Name[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2-fluorophenyl)methyl hydrogen phosphite
PubChem CID139341135
Molecular FormulaC16H17F2N2O6P
Molecular Weight402.29 g/mol
Exact Mass402.08
IUPAC Name[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2-fluorophenyl)methyl hydrogen phosphite
SMILESO=c1[nH]c(=O)n(C2CCC(COP(O)OCc3ccccc3F)O2)cc1F
InChIInChI=1S/C16H17F2N2O6P/c17-12-4-2-1-3-10(12)8-24-27(23)25-9-11-5-6-14(26-11)20-7-13(18)15(21)19-16(20)22/h1-4,7,11,14,23H,5-6,8-9H2,(H,19,21,22)
InChIKeyBZVWWJRGPUWLMC-UHFFFAOYSA-N
XLogP1.95
TPSA102.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2-fluorophenyl)methyl hydrogen phosphite?
The IUPAC name of [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2-fluorophenyl)methyl hydrogen phosphite (CID 139341135) is [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2-fluorophenyl)methyl hydrogen phosphite.
What is the SMILES notation for [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2-fluorophenyl)methyl hydrogen phosphite?
The canonical SMILES for [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2-fluorophenyl)methyl hydrogen phosphite is O=c1[nH]c(=O)n(C2CCC(COP(O)OCc3ccccc3F)O2)cc1F.
What is the InChIKey of [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2-fluorophenyl)methyl hydrogen phosphite?
The InChIKey is BZVWWJRGPUWLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N2O6P/c17-12-4-2-1-3-10(12)8-24-27(23)25-9-11-5-6-14(26-11)20-7-13(18)15(21)19-16(20)22/h1-4,7,11,14,23H,5-6,8-9H2,(H,19,21,22).
What are the key properties of [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2-fluorophenyl)methyl hydrogen phosphite?
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2-fluorophenyl)methyl hydrogen phosphite has a molecular weight of 402.29 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2-fluorophenyl)methyl hydrogen phosphite is sourced from PubChem (CID 139341135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).