1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl acetate

C8H9FN2O4 — CID 16752227

IUPAC1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl acetate
SMILESCC(=O)OC(C)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H9FN2O4/c1-4(15-5(2)12)11-3-6(9)7(13)10-8(11)14/h3-4H,1-2H3,(H,10,13,14)
InChIKeyWWQREZDGFIXHAF-UHFFFAOYSA-N
MW216.17 g/mol
LogP-0.24
Rot. Bonds2

About 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl acetate

1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl acetate (PubChem CID 16752227) has the molecular formula C8H9FN2O4 and a molecular weight of 216.17 g/mol. Its IUPAC name is 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl acetate.

Molecular Properties

Compound Name1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl acetate
PubChem CID16752227
Molecular FormulaC8H9FN2O4
Molecular Weight216.17 g/mol
Exact Mass216.05
IUPAC Name1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl acetate
SMILESCC(=O)OC(C)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H9FN2O4/c1-4(15-5(2)12)11-3-6(9)7(13)10-8(11)14/h3-4H,1-2H3,(H,10,13,14)
InChIKeyWWQREZDGFIXHAF-UHFFFAOYSA-N
XLogP-0.24
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl acetate?
The IUPAC name of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl acetate (CID 16752227) is 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl acetate.
What is the SMILES notation for 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl acetate?
The canonical SMILES for 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl acetate is CC(=O)OC(C)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl acetate?
The InChIKey is WWQREZDGFIXHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O4/c1-4(15-5(2)12)11-3-6(9)7(13)10-8(11)14/h3-4H,1-2H3,(H,10,13,14).
What are the key properties of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl acetate?
1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl acetate has a molecular weight of 216.17 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl acetate is sourced from PubChem (CID 16752227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).