ethyl 3-ethoxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate

C11H15FN2O5 — CID 11543635

IUPACethyl 3-ethoxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate
SMILESCCOC(=O)CC(OCC)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H15FN2O5/c1-3-18-8(5-9(15)19-4-2)14-6-7(12)10(16)13-11(14)17/h6,8H,3-5H2,1-2H3,(H,13,16,17)
InChIKeyHGNAXIRTSJNIDO-UHFFFAOYSA-N
MW274.25 g/mol
LogP0.16
Rot. Bonds6

About ethyl 3-ethoxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate

ethyl 3-ethoxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate (PubChem CID 11543635) has the molecular formula C11H15FN2O5 and a molecular weight of 274.25 g/mol. Its IUPAC name is ethyl 3-ethoxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-ethoxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate
PubChem CID11543635
Molecular FormulaC11H15FN2O5
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Nameethyl 3-ethoxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate
SMILESCCOC(=O)CC(OCC)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H15FN2O5/c1-3-18-8(5-9(15)19-4-2)14-6-7(12)10(16)13-11(14)17/h6,8H,3-5H2,1-2H3,(H,13,16,17)
InChIKeyHGNAXIRTSJNIDO-UHFFFAOYSA-N
XLogP0.16
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethoxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate?
The IUPAC name of ethyl 3-ethoxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate (CID 11543635) is ethyl 3-ethoxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-ethoxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate?
The canonical SMILES for ethyl 3-ethoxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate is CCOC(=O)CC(OCC)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 3-ethoxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate?
The InChIKey is HGNAXIRTSJNIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O5/c1-3-18-8(5-9(15)19-4-2)14-6-7(12)10(16)13-11(14)17/h6,8H,3-5H2,1-2H3,(H,13,16,17).
What are the key properties of ethyl 3-ethoxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate?
ethyl 3-ethoxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate has a molecular weight of 274.25 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethoxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate is sourced from PubChem (CID 11543635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).