5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-propan-2-ylpyridin-2-one

C13H19F3N2O — CID 146189686

IUPAC5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(CCN(C)CC(F)(F)F)ccc1=O
InChIInChI=1S/C13H19F3N2O/c1-10(2)18-8-11(4-5-12(18)19)6-7-17(3)9-13(14,15)16/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyJEZGNABNZZFIAA-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.47
Rot. Bonds5

About 5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-propan-2-ylpyridin-2-one

5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-propan-2-ylpyridin-2-one (PubChem CID 146189686) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-propan-2-ylpyridin-2-one
PubChem CID146189686
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(CCN(C)CC(F)(F)F)ccc1=O
InChIInChI=1S/C13H19F3N2O/c1-10(2)18-8-11(4-5-12(18)19)6-7-17(3)9-13(14,15)16/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyJEZGNABNZZFIAA-UHFFFAOYSA-N
XLogP2.47
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-propan-2-ylpyridin-2-one (CID 146189686) is 5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-propan-2-ylpyridin-2-one is CC(C)n1cc(CCN(C)CC(F)(F)F)ccc1=O.
What is the InChIKey of 5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-propan-2-ylpyridin-2-one?
The InChIKey is JEZGNABNZZFIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-10(2)18-8-11(4-5-12(18)19)6-7-17(3)9-13(14,15)16/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of 5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-propan-2-ylpyridin-2-one?
5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-propan-2-ylpyridin-2-one has a molecular weight of 276.30 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 146189686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).