5-ethyl-4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-2-one

C11H14F3NO — CID 146551904

IUPAC5-ethyl-4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESCCc1c(C)cc(=O)n(CC(F)(F)F)c1C
InChIInChI=1S/C11H14F3NO/c1-4-9-7(2)5-10(16)15(8(9)3)6-11(12,13)14/h5H,4,6H2,1-3H3
InChIKeyUHKKCZVEUCQKOK-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.59
Rot. Bonds2

About 5-ethyl-4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-2-one

5-ethyl-4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 146551904) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-ethyl-4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name5-ethyl-4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID146551904
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name5-ethyl-4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESCCc1c(C)cc(=O)n(CC(F)(F)F)c1C
InChIInChI=1S/C11H14F3NO/c1-4-9-7(2)5-10(16)15(8(9)3)6-11(12,13)14/h5H,4,6H2,1-3H3
InChIKeyUHKKCZVEUCQKOK-UHFFFAOYSA-N
XLogP2.59
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The IUPAC name of 5-ethyl-4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-2-one (CID 146551904) is 5-ethyl-4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-2-one.
What is the SMILES notation for 5-ethyl-4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The canonical SMILES for 5-ethyl-4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-2-one is CCc1c(C)cc(=O)n(CC(F)(F)F)c1C.
What is the InChIKey of 5-ethyl-4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is UHKKCZVEUCQKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-4-9-7(2)5-10(16)15(8(9)3)6-11(12,13)14/h5H,4,6H2,1-3H3.
What are the key properties of 5-ethyl-4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
5-ethyl-4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 233.23 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 146551904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).