4-[1-(azetidin-1-yl)-2,2,2-trifluoroethyl]-1-propan-2-ylpyridin-2-one

C13H17F3N2O — CID 146191540

IUPAC4-[1-(azetidin-1-yl)-2,2,2-trifluoroethyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1ccc(C(N2CCC2)C(F)(F)F)cc1=O
InChIInChI=1S/C13H17F3N2O/c1-9(2)18-7-4-10(8-11(18)19)12(13(14,15)16)17-5-3-6-17/h4,7-9,12H,3,5-6H2,1-2H3
InChIKeyOFWNQYGTPJTGMN-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.74
Rot. Bonds3

About 4-[1-(azetidin-1-yl)-2,2,2-trifluoroethyl]-1-propan-2-ylpyridin-2-one

4-[1-(azetidin-1-yl)-2,2,2-trifluoroethyl]-1-propan-2-ylpyridin-2-one (PubChem CID 146191540) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-[1-(azetidin-1-yl)-2,2,2-trifluoroethyl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name4-[1-(azetidin-1-yl)-2,2,2-trifluoroethyl]-1-propan-2-ylpyridin-2-one
PubChem CID146191540
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name4-[1-(azetidin-1-yl)-2,2,2-trifluoroethyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1ccc(C(N2CCC2)C(F)(F)F)cc1=O
InChIInChI=1S/C13H17F3N2O/c1-9(2)18-7-4-10(8-11(18)19)12(13(14,15)16)17-5-3-6-17/h4,7-9,12H,3,5-6H2,1-2H3
InChIKeyOFWNQYGTPJTGMN-UHFFFAOYSA-N
XLogP2.74
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[1-(azetidin-1-yl)-2,2,2-trifluoroethyl]-1-propan-2-ylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(azetidin-1-yl)-2,2,2-trifluoroethyl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 4-[1-(azetidin-1-yl)-2,2,2-trifluoroethyl]-1-propan-2-ylpyridin-2-one (CID 146191540) is 4-[1-(azetidin-1-yl)-2,2,2-trifluoroethyl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 4-[1-(azetidin-1-yl)-2,2,2-trifluoroethyl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 4-[1-(azetidin-1-yl)-2,2,2-trifluoroethyl]-1-propan-2-ylpyridin-2-one is CC(C)n1ccc(C(N2CCC2)C(F)(F)F)cc1=O.
What is the InChIKey of 4-[1-(azetidin-1-yl)-2,2,2-trifluoroethyl]-1-propan-2-ylpyridin-2-one?
The InChIKey is OFWNQYGTPJTGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-9(2)18-7-4-10(8-11(18)19)12(13(14,15)16)17-5-3-6-17/h4,7-9,12H,3,5-6H2,1-2H3.
What are the key properties of 4-[1-(azetidin-1-yl)-2,2,2-trifluoroethyl]-1-propan-2-ylpyridin-2-one?
4-[1-(azetidin-1-yl)-2,2,2-trifluoroethyl]-1-propan-2-ylpyridin-2-one has a molecular weight of 274.29 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(azetidin-1-yl)-2,2,2-trifluoroethyl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 146191540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).