1-(difluoromethyl)-4-phenylmethoxypyridin-2-one

C13H11F2NO2 — CID 22050879

IUPAC1-(difluoromethyl)-4-phenylmethoxypyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1C(F)F
InChIInChI=1S/C13H11F2NO2/c14-13(15)16-7-6-11(8-12(16)17)18-9-10-4-2-1-3-5-10/h1-8,13H,9H2
InChIKeyNPXLKHPUYHEDLX-UHFFFAOYSA-N
MW251.23 g/mol
LogP2.82
Rot. Bonds4

About 1-(difluoromethyl)-4-phenylmethoxypyridin-2-one

1-(difluoromethyl)-4-phenylmethoxypyridin-2-one (PubChem CID 22050879) has the molecular formula C13H11F2NO2 and a molecular weight of 251.23 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-(difluoromethyl)-4-phenylmethoxypyridin-2-one
PubChem CID22050879
Molecular FormulaC13H11F2NO2
Molecular Weight251.23 g/mol
Exact Mass251.08
IUPAC Name1-(difluoromethyl)-4-phenylmethoxypyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1C(F)F
InChIInChI=1S/C13H11F2NO2/c14-13(15)16-7-6-11(8-12(16)17)18-9-10-4-2-1-3-5-10/h1-8,13H,9H2
InChIKeyNPXLKHPUYHEDLX-UHFFFAOYSA-N
XLogP2.82
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-(difluoromethyl)-4-phenylmethoxypyridin-2-one (CID 22050879) is 1-(difluoromethyl)-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-(difluoromethyl)-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-(difluoromethyl)-4-phenylmethoxypyridin-2-one is O=c1cc(OCc2ccccc2)ccn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-4-phenylmethoxypyridin-2-one?
The InChIKey is NPXLKHPUYHEDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2/c14-13(15)16-7-6-11(8-12(16)17)18-9-10-4-2-1-3-5-10/h1-8,13H,9H2.
What are the key properties of 1-(difluoromethyl)-4-phenylmethoxypyridin-2-one?
1-(difluoromethyl)-4-phenylmethoxypyridin-2-one has a molecular weight of 251.23 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 22050879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).