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

C8H8F2N2O4 — CID 81297323

IUPACethyl 2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
SMILESCCOC(=O)C(F)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H8F2N2O4/c1-2-16-7(14)5(10)12-3-4(9)6(13)11-8(12)15/h3,5H,2H2,1H3,(H,11,13,15)
InChIKeyZTTFRTOYVANOBH-UHFFFAOYSA-N
MW234.16 g/mol
LogP-0.29
Rot. Bonds3

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

ethyl 2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 81297323) has the molecular formula C8H8F2N2O4 and a molecular weight of 234.16 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
PubChem CID81297323
Molecular FormulaC8H8F2N2O4
Molecular Weight234.16 g/mol
Exact Mass234.05
IUPAC Nameethyl 2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
SMILESCCOC(=O)C(F)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H8F2N2O4/c1-2-16-7(14)5(10)12-3-4(9)6(13)11-8(12)15/h3,5H,2H2,1H3,(H,11,13,15)
InChIKeyZTTFRTOYVANOBH-UHFFFAOYSA-N
XLogP-0.29
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate (CID 81297323) is ethyl 2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate is CCOC(=O)C(F)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is ZTTFRTOYVANOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O4/c1-2-16-7(14)5(10)12-3-4(9)6(13)11-8(12)15/h3,5H,2H2,1H3,(H,11,13,15).
What are the key properties of ethyl 2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
ethyl 2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 234.16 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 81297323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).