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

C8H7F3N2O2 — CID 83889195

IUPAC1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone
SMILESCOc1cc(C(C)=O)nc(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O2/c1-4(14)5-3-6(15-2)13-7(12-5)8(9,10)11/h3H,1-2H3
InChIKeyDOSKZZFGAUHUGL-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.71
Rot. Bonds2

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

1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone (PubChem CID 83889195) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone
PubChem CID83889195
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone
SMILESCOc1cc(C(C)=O)nc(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O2/c1-4(14)5-3-6(15-2)13-7(12-5)8(9,10)11/h3H,1-2H3
InChIKeyDOSKZZFGAUHUGL-UHFFFAOYSA-N
XLogP1.71
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone?
The IUPAC name of 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone (CID 83889195) is 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone.
What is the SMILES notation for 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone?
The canonical SMILES for 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone is COc1cc(C(C)=O)nc(C(F)(F)F)n1.
What is the InChIKey of 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone?
The InChIKey is DOSKZZFGAUHUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c1-4(14)5-3-6(15-2)13-7(12-5)8(9,10)11/h3H,1-2H3.
What are the key properties of 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone?
1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone has a molecular weight of 220.15 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone is sourced from PubChem (CID 83889195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).