2,4-dioxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-5-carboxylic acid

C8H6F4N2O4 — CID 106295444

IUPAC2,4-dioxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(CC(F)(F)C(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C8H6F4N2O4/c9-6(10)8(11,12)2-14-1-3(5(16)17)4(15)13-7(14)18/h1,6H,2H2,(H,16,17)(H,13,15,18)
InChIKeyYHAHHLCLDOEYML-UHFFFAOYSA-N
MW270.14 g/mol
LogP0.14
Rot. Bonds4

About 2,4-dioxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-5-carboxylic acid

2,4-dioxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-5-carboxylic acid (PubChem CID 106295444) has the molecular formula C8H6F4N2O4 and a molecular weight of 270.14 g/mol. Its IUPAC name is 2,4-dioxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dioxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-5-carboxylic acid
PubChem CID106295444
Molecular FormulaC8H6F4N2O4
Molecular Weight270.14 g/mol
Exact Mass270.03
IUPAC Name2,4-dioxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(CC(F)(F)C(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C8H6F4N2O4/c9-6(10)8(11,12)2-14-1-3(5(16)17)4(15)13-7(14)18/h1,6H,2H2,(H,16,17)(H,13,15,18)
InChIKeyYHAHHLCLDOEYML-UHFFFAOYSA-N
XLogP0.14
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2,4-dioxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-5-carboxylic acid (CID 106295444) is 2,4-dioxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,4-dioxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2,4-dioxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-5-carboxylic acid is O=C(O)c1cn(CC(F)(F)C(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-5-carboxylic acid?
The InChIKey is YHAHHLCLDOEYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4N2O4/c9-6(10)8(11,12)2-14-1-3(5(16)17)4(15)13-7(14)18/h1,6H,2H2,(H,16,17)(H,13,15,18).
What are the key properties of 2,4-dioxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-5-carboxylic acid?
2,4-dioxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-5-carboxylic acid has a molecular weight of 270.14 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 106295444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).