1-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone

C9H9F3N2O2 — CID 83895920

IUPAC1-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone
SMILESCCOc1cc(C(C)=O)nc(C(F)(F)F)n1
InChIInChI=1S/C9H9F3N2O2/c1-3-16-7-4-6(5(2)15)13-8(14-7)9(10,11)12/h4H,3H2,1-2H3
InChIKeyWOPGHLMYTMGMPA-UHFFFAOYSA-N
MW234.18 g/mol
LogP2.10
Rot. Bonds3

About 1-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone

1-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone (PubChem CID 83895920) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 1-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone
PubChem CID83895920
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name1-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone
SMILESCCOc1cc(C(C)=O)nc(C(F)(F)F)n1
InChIInChI=1S/C9H9F3N2O2/c1-3-16-7-4-6(5(2)15)13-8(14-7)9(10,11)12/h4H,3H2,1-2H3
InChIKeyWOPGHLMYTMGMPA-UHFFFAOYSA-N
XLogP2.10
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone?
The IUPAC name of 1-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone (CID 83895920) is 1-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone.
What is the SMILES notation for 1-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone?
The canonical SMILES for 1-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone is CCOc1cc(C(C)=O)nc(C(F)(F)F)n1.
What is the InChIKey of 1-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone?
The InChIKey is WOPGHLMYTMGMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-3-16-7-4-6(5(2)15)13-8(14-7)9(10,11)12/h4H,3H2,1-2H3.
What are the key properties of 1-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone?
1-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone has a molecular weight of 234.18 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone is sourced from PubChem (CID 83895920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).