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

C7H7FN2O4 — CID 11820151

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl acetate
SMILESCC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H7FN2O4/c1-4(11)14-3-10-2-5(8)6(12)9-7(10)13/h2H,3H2,1H3,(H,9,12,13)
InChIKeyRQIJPDNDFZUCEI-UHFFFAOYSA-N
MW202.14 g/mol
LogP-0.80
Rot. Bonds2

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

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl acetate (PubChem CID 11820151) has the molecular formula C7H7FN2O4 and a molecular weight of 202.14 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl acetate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl acetate
PubChem CID11820151
Molecular FormulaC7H7FN2O4
Molecular Weight202.14 g/mol
Exact Mass202.04
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl acetate
SMILESCC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H7FN2O4/c1-4(11)14-3-10-2-5(8)6(12)9-7(10)13/h2H,3H2,1H3,(H,9,12,13)
InChIKeyRQIJPDNDFZUCEI-UHFFFAOYSA-N
XLogP-0.80
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl acetate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl acetate (CID 11820151) is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl acetate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl acetate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl acetate is CC(=O)OCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl acetate?
The InChIKey is RQIJPDNDFZUCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O4/c1-4(11)14-3-10-2-5(8)6(12)9-7(10)13/h2H,3H2,1H3,(H,9,12,13).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl acetate?
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl acetate has a molecular weight of 202.14 g/mol, XLogP of -0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl acetate is sourced from PubChem (CID 11820151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).