[2-acetyloxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-methoxypropyl] acetate

C12H15FN2O7 — CID 12802670

IUPAC[2-acetyloxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-methoxypropyl] acetate
SMILESCOC(C(COC(C)=O)OC(C)=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H15FN2O7/c1-6(16)21-5-9(22-7(2)17)11(20-3)15-4-8(13)10(18)14-12(15)19/h4,9,11H,5H2,1-3H3,(H,14,18,19)
InChIKeyWHJTYHPMRJZSGJ-UHFFFAOYSA-N
MW318.26 g/mol
LogP-0.68
Rot. Bonds6

About [2-acetyloxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-methoxypropyl] acetate

[2-acetyloxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-methoxypropyl] acetate (PubChem CID 12802670) has the molecular formula C12H15FN2O7 and a molecular weight of 318.26 g/mol. Its IUPAC name is [2-acetyloxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-methoxypropyl] acetate.

Molecular Properties

Compound Name[2-acetyloxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-methoxypropyl] acetate
PubChem CID12802670
Molecular FormulaC12H15FN2O7
Molecular Weight318.26 g/mol
Exact Mass318.09
IUPAC Name[2-acetyloxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-methoxypropyl] acetate
SMILESCOC(C(COC(C)=O)OC(C)=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H15FN2O7/c1-6(16)21-5-9(22-7(2)17)11(20-3)15-4-8(13)10(18)14-12(15)19/h4,9,11H,5H2,1-3H3,(H,14,18,19)
InChIKeyWHJTYHPMRJZSGJ-UHFFFAOYSA-N
XLogP-0.68
TPSA116.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-acetyloxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-methoxypropyl] acetate?
The IUPAC name of [2-acetyloxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-methoxypropyl] acetate (CID 12802670) is [2-acetyloxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-methoxypropyl] acetate.
What is the SMILES notation for [2-acetyloxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-methoxypropyl] acetate?
The canonical SMILES for [2-acetyloxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-methoxypropyl] acetate is COC(C(COC(C)=O)OC(C)=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of [2-acetyloxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-methoxypropyl] acetate?
The InChIKey is WHJTYHPMRJZSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O7/c1-6(16)21-5-9(22-7(2)17)11(20-3)15-4-8(13)10(18)14-12(15)19/h4,9,11H,5H2,1-3H3,(H,14,18,19).
What are the key properties of [2-acetyloxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-methoxypropyl] acetate?
[2-acetyloxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-methoxypropyl] acetate has a molecular weight of 318.26 g/mol, XLogP of -0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetyloxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-methoxypropyl] acetate is sourced from PubChem (CID 12802670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).