2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-3,5-dimethyl-1H-pyridin-4-one

C12H17F3N2O — CID 91832517

IUPAC2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-3,5-dimethyl-1H-pyridin-4-one
SMILESCCN(Cc1[nH]cc(C)c(=O)c1C)CC(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-4-17(7-12(13,14)15)6-10-9(3)11(18)8(2)5-16-10/h5H,4,6-7H2,1-3H3,(H,16,18)
InChIKeySGBQSKWNBAESIZ-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.38
Rot. Bonds4

About 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-3,5-dimethyl-1H-pyridin-4-one

2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-3,5-dimethyl-1H-pyridin-4-one (PubChem CID 91832517) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-3,5-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-3,5-dimethyl-1H-pyridin-4-one
PubChem CID91832517
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-3,5-dimethyl-1H-pyridin-4-one
SMILESCCN(Cc1[nH]cc(C)c(=O)c1C)CC(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-4-17(7-12(13,14)15)6-10-9(3)11(18)8(2)5-16-10/h5H,4,6-7H2,1-3H3,(H,16,18)
InChIKeySGBQSKWNBAESIZ-UHFFFAOYSA-N
XLogP2.38
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The IUPAC name of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-3,5-dimethyl-1H-pyridin-4-one (CID 91832517) is 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-3,5-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-3,5-dimethyl-1H-pyridin-4-one is CCN(Cc1[nH]cc(C)c(=O)c1C)CC(F)(F)F.
What is the InChIKey of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The InChIKey is SGBQSKWNBAESIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-4-17(7-12(13,14)15)6-10-9(3)11(18)8(2)5-16-10/h5H,4,6-7H2,1-3H3,(H,16,18).
What are the key properties of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-3,5-dimethyl-1H-pyridin-4-one?
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-3,5-dimethyl-1H-pyridin-4-one has a molecular weight of 262.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-3,5-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 91832517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).