5-(4,4-difluoropiperidin-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one

C13H15F5N2O — CID 163238257

IUPAC5-(4,4-difluoropiperidin-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESCc1cc(C2CNCCC2(F)F)cn(CC(F)(F)F)c1=O
InChIInChI=1S/C13H15F5N2O/c1-8-4-9(10-5-19-3-2-12(10,14)15)6-20(11(8)21)7-13(16,17)18/h4,6,10,19H,2-3,5,7H2,1H3
InChIKeyUZZMHTOZFGNAEZ-UHFFFAOYSA-N
MW310.27 g/mol
LogP2.43
Rot. Bonds2

About 5-(4,4-difluoropiperidin-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one

5-(4,4-difluoropiperidin-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 163238257) has the molecular formula C13H15F5N2O and a molecular weight of 310.27 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name5-(4,4-difluoropiperidin-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID163238257
Molecular FormulaC13H15F5N2O
Molecular Weight310.27 g/mol
Exact Mass310.11
IUPAC Name5-(4,4-difluoropiperidin-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESCc1cc(C2CNCCC2(F)F)cn(CC(F)(F)F)c1=O
InChIInChI=1S/C13H15F5N2O/c1-8-4-9(10-5-19-3-2-12(10,14)15)6-20(11(8)21)7-13(16,17)18/h4,6,10,19H,2-3,5,7H2,1H3
InChIKeyUZZMHTOZFGNAEZ-UHFFFAOYSA-N
XLogP2.43
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropiperidin-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The IUPAC name of 5-(4,4-difluoropiperidin-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one (CID 163238257) is 5-(4,4-difluoropiperidin-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one.
What is the SMILES notation for 5-(4,4-difluoropiperidin-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The canonical SMILES for 5-(4,4-difluoropiperidin-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one is Cc1cc(C2CNCCC2(F)F)cn(CC(F)(F)F)c1=O.
What is the InChIKey of 5-(4,4-difluoropiperidin-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is UZZMHTOZFGNAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F5N2O/c1-8-4-9(10-5-19-3-2-12(10,14)15)6-20(11(8)21)7-13(16,17)18/h4,6,10,19H,2-3,5,7H2,1H3.
What are the key properties of 5-(4,4-difluoropiperidin-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
5-(4,4-difluoropiperidin-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 310.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoropiperidin-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 163238257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).