2,4-dioxo-1-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid

C7H5F3N2O4 — CID 79873769

IUPAC2,4-dioxo-1-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(CC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C7H5F3N2O4/c8-7(9,10)2-12-1-3(5(14)15)4(13)11-6(12)16/h1H,2H2,(H,14,15)(H,11,13,16)
InChIKeyFLIUKNTVHQHGHJ-UHFFFAOYSA-N
MW238.12 g/mol
LogP-0.20
Rot. Bonds2

About 2,4-dioxo-1-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid

2,4-dioxo-1-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid (PubChem CID 79873769) has the molecular formula C7H5F3N2O4 and a molecular weight of 238.12 g/mol. Its IUPAC name is 2,4-dioxo-1-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dioxo-1-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid
PubChem CID79873769
Molecular FormulaC7H5F3N2O4
Molecular Weight238.12 g/mol
Exact Mass238.02
IUPAC Name2,4-dioxo-1-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(CC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C7H5F3N2O4/c8-7(9,10)2-12-1-3(5(14)15)4(13)11-6(12)16/h1H,2H2,(H,14,15)(H,11,13,16)
InChIKeyFLIUKNTVHQHGHJ-UHFFFAOYSA-N
XLogP-0.20
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2,4-dioxo-1-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid (CID 79873769) is 2,4-dioxo-1-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,4-dioxo-1-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2,4-dioxo-1-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid is O=C(O)c1cn(CC(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-1-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid?
The InChIKey is FLIUKNTVHQHGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O4/c8-7(9,10)2-12-1-3(5(14)15)4(13)11-6(12)16/h1H,2H2,(H,14,15)(H,11,13,16).
What are the key properties of 2,4-dioxo-1-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid?
2,4-dioxo-1-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid has a molecular weight of 238.12 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 79873769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).