1-(difluoromethyl)-5-propan-2-ylpyridin-2-one

C9H11F2NO — CID 139483427

IUPAC1-(difluoromethyl)-5-propan-2-ylpyridin-2-one
SMILESCC(C)c1ccc(=O)n(C(F)F)c1
InChIInChI=1S/C9H11F2NO/c1-6(2)7-3-4-8(13)12(5-7)9(10)11/h3-6,9H,1-2H3
InChIKeyWFMKAXWPBWQNPS-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.37
Rot. Bonds2

About 1-(difluoromethyl)-5-propan-2-ylpyridin-2-one

1-(difluoromethyl)-5-propan-2-ylpyridin-2-one (PubChem CID 139483427) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-(difluoromethyl)-5-propan-2-ylpyridin-2-one
PubChem CID139483427
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-(difluoromethyl)-5-propan-2-ylpyridin-2-one
SMILESCC(C)c1ccc(=O)n(C(F)F)c1
InChIInChI=1S/C9H11F2NO/c1-6(2)7-3-4-8(13)12(5-7)9(10)11/h3-6,9H,1-2H3
InChIKeyWFMKAXWPBWQNPS-UHFFFAOYSA-N
XLogP2.37
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-propan-2-ylpyridin-2-one?
The IUPAC name of 1-(difluoromethyl)-5-propan-2-ylpyridin-2-one (CID 139483427) is 1-(difluoromethyl)-5-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1-(difluoromethyl)-5-propan-2-ylpyridin-2-one?
The canonical SMILES for 1-(difluoromethyl)-5-propan-2-ylpyridin-2-one is CC(C)c1ccc(=O)n(C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-5-propan-2-ylpyridin-2-one?
The InChIKey is WFMKAXWPBWQNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-6(2)7-3-4-8(13)12(5-7)9(10)11/h3-6,9H,1-2H3.
What are the key properties of 1-(difluoromethyl)-5-propan-2-ylpyridin-2-one?
1-(difluoromethyl)-5-propan-2-ylpyridin-2-one has a molecular weight of 187.19 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-propan-2-ylpyridin-2-one is sourced from PubChem (CID 139483427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).