1-ethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one

C9H11F3N2O — CID 166840036

IUPAC1-ethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one
SMILESCCn1cccc(NCC(F)(F)F)c1=O
InChIInChI=1S/C9H11F3N2O/c1-2-14-5-3-4-7(8(14)15)13-6-9(10,11)12/h3-5,13H,2,6H2,1H3
InChIKeyQGPCHVKASYMVJZ-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.84
Rot. Bonds3

About 1-ethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one

1-ethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one (PubChem CID 166840036) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-ethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one
PubChem CID166840036
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-ethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one
SMILESCCn1cccc(NCC(F)(F)F)c1=O
InChIInChI=1S/C9H11F3N2O/c1-2-14-5-3-4-7(8(14)15)13-6-9(10,11)12/h3-5,13H,2,6H2,1H3
InChIKeyQGPCHVKASYMVJZ-UHFFFAOYSA-N
XLogP1.84
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one?
The IUPAC name of 1-ethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one (CID 166840036) is 1-ethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one.
What is the SMILES notation for 1-ethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one?
The canonical SMILES for 1-ethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one is CCn1cccc(NCC(F)(F)F)c1=O.
What is the InChIKey of 1-ethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one?
The InChIKey is QGPCHVKASYMVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-2-14-5-3-4-7(8(14)15)13-6-9(10,11)12/h3-5,13H,2,6H2,1H3.
What are the key properties of 1-ethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one?
1-ethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one has a molecular weight of 220.19 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one is sourced from PubChem (CID 166840036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).