6-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione

C8H9F3N2O2 — CID 122239172

IUPAC6-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
SMILESCCc1cc(=O)n(CC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C8H9F3N2O2/c1-2-5-3-6(14)13(7(15)12-5)4-8(9,10)11/h3H,2,4H2,1H3,(H,12,15)
InChIKeyFQWYHTHIGCAOMP-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.66
Rot. Bonds2

About 6-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione

6-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione (PubChem CID 122239172) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 6-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
PubChem CID122239172
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name6-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
SMILESCCc1cc(=O)n(CC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C8H9F3N2O2/c1-2-5-3-6(14)13(7(15)12-5)4-8(9,10)11/h3H,2,4H2,1H3,(H,12,15)
InChIKeyFQWYHTHIGCAOMP-UHFFFAOYSA-N
XLogP0.66
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione (CID 122239172) is 6-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione is CCc1cc(=O)n(CC(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 6-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is FQWYHTHIGCAOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-2-5-3-6(14)13(7(15)12-5)4-8(9,10)11/h3H,2,4H2,1H3,(H,12,15).
What are the key properties of 6-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
6-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 222.17 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 122239172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).