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

C12H17F3N2O — CID 146182940

IUPAC5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(CN(C)CC(F)(F)F)ccc1=O
InChIInChI=1S/C12H17F3N2O/c1-9(2)17-7-10(4-5-11(17)18)6-16(3)8-12(13,14)15/h4-5,7,9H,6,8H2,1-3H3
InChIKeyFWQPBZGBTRGRJZ-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.42
Rot. Bonds4

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

5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-propan-2-ylpyridin-2-one (PubChem CID 146182940) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-propan-2-ylpyridin-2-one
PubChem CID146182940
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(CN(C)CC(F)(F)F)ccc1=O
InChIInChI=1S/C12H17F3N2O/c1-9(2)17-7-10(4-5-11(17)18)6-16(3)8-12(13,14)15/h4-5,7,9H,6,8H2,1-3H3
InChIKeyFWQPBZGBTRGRJZ-UHFFFAOYSA-N
XLogP2.42
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-propan-2-ylpyridin-2-one (CID 146182940) is 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-propan-2-ylpyridin-2-one is CC(C)n1cc(CN(C)CC(F)(F)F)ccc1=O.
What is the InChIKey of 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-propan-2-ylpyridin-2-one?
The InChIKey is FWQPBZGBTRGRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-9(2)17-7-10(4-5-11(17)18)6-16(3)8-12(13,14)15/h4-5,7,9H,6,8H2,1-3H3.
What are the key properties of 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-propan-2-ylpyridin-2-one?
5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-propan-2-ylpyridin-2-one has a molecular weight of 262.27 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 146182940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).