2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one

C8H9F3N2O2 — CID 103240550

IUPAC2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
SMILESCCc1nc(OCC(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C8H9F3N2O2/c1-2-5-12-6(14)3-7(13-5)15-4-8(9,10)11/h3H,2,4H2,1H3,(H,12,13,14)
InChIKeyAYYSTNWFPMJNFB-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.27
Rot. Bonds3

About 2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one

2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one (PubChem CID 103240550) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
PubChem CID103240550
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
SMILESCCc1nc(OCC(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C8H9F3N2O2/c1-2-5-12-6(14)3-7(13-5)15-4-8(9,10)11/h3H,2,4H2,1H3,(H,12,13,14)
InChIKeyAYYSTNWFPMJNFB-UHFFFAOYSA-N
XLogP1.27
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one (CID 103240550) is 2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one is CCc1nc(OCC(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one?
The InChIKey is AYYSTNWFPMJNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-2-5-12-6(14)3-7(13-5)15-4-8(9,10)11/h3H,2,4H2,1H3,(H,12,13,14).
What are the key properties of 2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one?
2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one has a molecular weight of 222.17 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).