2-(3,5-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone

C13H10F2N2O2 — CID 102949931

IUPAC2-(3,5-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone
SMILESCOc1cc(C(=O)Cc2cc(F)cc(F)c2)ncn1
InChIInChI=1S/C13H10F2N2O2/c1-19-13-6-11(16-7-17-13)12(18)4-8-2-9(14)5-10(15)3-8/h2-3,5-7H,4H2,1H3
InChIKeyLJQHGGMKMMEUSK-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.19
Rot. Bonds4

About 2-(3,5-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone

2-(3,5-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone (PubChem CID 102949931) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone
PubChem CID102949931
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name2-(3,5-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone
SMILESCOc1cc(C(=O)Cc2cc(F)cc(F)c2)ncn1
InChIInChI=1S/C13H10F2N2O2/c1-19-13-6-11(16-7-17-13)12(18)4-8-2-9(14)5-10(15)3-8/h2-3,5-7H,4H2,1H3
InChIKeyLJQHGGMKMMEUSK-UHFFFAOYSA-N
XLogP2.19
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone (CID 102949931) is 2-(3,5-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone is COc1cc(C(=O)Cc2cc(F)cc(F)c2)ncn1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone?
The InChIKey is LJQHGGMKMMEUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c1-19-13-6-11(16-7-17-13)12(18)4-8-2-9(14)5-10(15)3-8/h2-3,5-7H,4H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone?
2-(3,5-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone has a molecular weight of 264.23 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone is sourced from PubChem (CID 102949931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).