2-(2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C8H8F3N3O3 — CID 47123707

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCC(F)(F)F
InChIInChI=1S/C8H8F3N3O3/c9-8(10,11)4-12-6(16)3-14-2-1-5(15)13-7(14)17/h1-2H,3-4H2,(H,12,16)(H,13,15,17)
InChIKeyTUVTVKZTKSNOKA-UHFFFAOYSA-N
MW251.16 g/mol
LogP-0.78
Rot. Bonds3

About 2-(2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 47123707) has the molecular formula C8H8F3N3O3 and a molecular weight of 251.16 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID47123707
Molecular FormulaC8H8F3N3O3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCC(F)(F)F
InChIInChI=1S/C8H8F3N3O3/c9-8(10,11)4-12-6(16)3-14-2-1-5(15)13-7(14)17/h1-2H,3-4H2,(H,12,16)(H,13,15,17)
InChIKeyTUVTVKZTKSNOKA-UHFFFAOYSA-N
XLogP-0.78
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 47123707) is 2-(2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1ccc(=O)[nH]c1=O)NCC(F)(F)F.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is TUVTVKZTKSNOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3/c9-8(10,11)4-12-6(16)3-14-2-1-5(15)13-7(14)17/h1-2H,3-4H2,(H,12,16)(H,13,15,17).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 251.16 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 47123707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).