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

C8H9FN2O4 — CID 746586

IUPACethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H9FN2O4/c1-2-15-6(12)4-11-3-5(9)7(13)10-8(11)14/h3H,2,4H2,1H3,(H,10,13,14)
InChIKeyKKVVUJGTXDPMGE-UHFFFAOYSA-N
MW216.17 g/mol
LogP-0.76
Rot. Bonds3

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

ethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 746586) has the molecular formula C8H9FN2O4 and a molecular weight of 216.17 g/mol. Its IUPAC name is ethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
PubChem CID746586
Molecular FormulaC8H9FN2O4
Molecular Weight216.17 g/mol
Exact Mass216.05
IUPAC Nameethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H9FN2O4/c1-2-15-6(12)4-11-3-5(9)7(13)10-8(11)14/h3H,2,4H2,1H3,(H,10,13,14)
InChIKeyKKVVUJGTXDPMGE-UHFFFAOYSA-N
XLogP-0.76
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of ethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate (CID 746586) is ethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate is CCOC(=O)Cn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is KKVVUJGTXDPMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O4/c1-2-15-6(12)4-11-3-5(9)7(13)10-8(11)14/h3H,2,4H2,1H3,(H,10,13,14).
What are the key properties of ethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
ethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 216.17 g/mol, XLogP of -0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 746586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).