ethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-difluoroacetate

C8H8F2N2O4 — CID 102258946

IUPACethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H8F2N2O4/c1-2-16-6(14)8(9,10)4-3-11-7(15)12-5(4)13/h3H,2H2,1H3,(H2,11,12,13,15)
InChIKeyPHGFCPWCFXIVNS-UHFFFAOYSA-N
MW234.16 g/mol
LogP-0.28
Rot. Bonds3

About ethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-difluoroacetate

ethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-difluoroacetate (PubChem CID 102258946) has the molecular formula C8H8F2N2O4 and a molecular weight of 234.16 g/mol. Its IUPAC name is ethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-difluoroacetate
PubChem CID102258946
Molecular FormulaC8H8F2N2O4
Molecular Weight234.16 g/mol
Exact Mass234.05
IUPAC Nameethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H8F2N2O4/c1-2-16-6(14)8(9,10)4-3-11-7(15)12-5(4)13/h3H,2H2,1H3,(H2,11,12,13,15)
InChIKeyPHGFCPWCFXIVNS-UHFFFAOYSA-N
XLogP-0.28
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-difluoroacetate (CID 102258946) is ethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-difluoroacetate is CCOC(=O)C(F)(F)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of ethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-difluoroacetate?
The InChIKey is PHGFCPWCFXIVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O4/c1-2-16-6(14)8(9,10)4-3-11-7(15)12-5(4)13/h3H,2H2,1H3,(H2,11,12,13,15).
What are the key properties of ethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-difluoroacetate?
ethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-difluoroacetate has a molecular weight of 234.16 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-difluoroacetate is sourced from PubChem (CID 102258946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).