1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

C6H5F3N2O2 — CID 63812371

IUPAC1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)3-11-2-1-4(12)10-5(11)13/h1-2H,3H2,(H,10,12,13)
InChIKeyIIQJAWAGVULOHQ-UHFFFAOYSA-N
MW194.11 g/mol
LogP0.10
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (PubChem CID 63812371) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
PubChem CID63812371
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)3-11-2-1-4(12)10-5(11)13/h1-2H,3H2,(H,10,12,13)
InChIKeyIIQJAWAGVULOHQ-UHFFFAOYSA-N
XLogP0.10
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (CID 63812371) is 1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is O=c1ccn(CC(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The InChIKey is IIQJAWAGVULOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c7-6(8,9)3-11-2-1-4(12)10-5(11)13/h1-2H,3H2,(H,10,12,13).
What are the key properties of 1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione has a molecular weight of 194.11 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63812371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).