ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2-difluoroacetate

C10H12F2N2O4 — CID 132961732

IUPACethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H12F2N2O4/c1-4-18-8(16)10(11,12)6-5-13(2)9(17)14(3)7(6)15/h5H,4H2,1-3H3
InChIKeyOQQAJXZGMZMCMR-UHFFFAOYSA-N
MW262.21 g/mol
LogP-0.26
Rot. Bonds3

About ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2-difluoroacetate

ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2-difluoroacetate (PubChem CID 132961732) has the molecular formula C10H12F2N2O4 and a molecular weight of 262.21 g/mol. Its IUPAC name is ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2-difluoroacetate
PubChem CID132961732
Molecular FormulaC10H12F2N2O4
Molecular Weight262.21 g/mol
Exact Mass262.08
IUPAC Nameethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H12F2N2O4/c1-4-18-8(16)10(11,12)6-5-13(2)9(17)14(3)7(6)15/h5H,4H2,1-3H3
InChIKeyOQQAJXZGMZMCMR-UHFFFAOYSA-N
XLogP-0.26
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2-difluoroacetate (CID 132961732) is ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2-difluoroacetate is CCOC(=O)C(F)(F)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2-difluoroacetate?
The InChIKey is OQQAJXZGMZMCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O4/c1-4-18-8(16)10(11,12)6-5-13(2)9(17)14(3)7(6)15/h5H,4H2,1-3H3.
What are the key properties of ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2-difluoroacetate?
ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2-difluoroacetate has a molecular weight of 262.21 g/mol, XLogP of -0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2-difluoroacetate is sourced from PubChem (CID 132961732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).