5-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one

C8H9F3N2O2 — CID 106704819

IUPAC5-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one
SMILESNc1ccc(=O)n(COCC(F)(F)F)c1
InChIInChI=1S/C8H9F3N2O2/c9-8(10,11)4-15-5-13-3-6(12)1-2-7(13)14/h1-3H,4-5,12H2
InChIKeyVJTGAKVJKIEUAC-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.97
Rot. Bonds3

About 5-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one

5-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one (PubChem CID 106704819) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 5-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one
PubChem CID106704819
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name5-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one
SMILESNc1ccc(=O)n(COCC(F)(F)F)c1
InChIInChI=1S/C8H9F3N2O2/c9-8(10,11)4-15-5-13-3-6(12)1-2-7(13)14/h1-3H,4-5,12H2
InChIKeyVJTGAKVJKIEUAC-UHFFFAOYSA-N
XLogP0.97
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one?
The IUPAC name of 5-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one (CID 106704819) is 5-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one.
What is the SMILES notation for 5-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one?
The canonical SMILES for 5-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one is Nc1ccc(=O)n(COCC(F)(F)F)c1.
What is the InChIKey of 5-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one?
The InChIKey is VJTGAKVJKIEUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c9-8(10,11)4-15-5-13-3-6(12)1-2-7(13)14/h1-3H,4-5,12H2.
What are the key properties of 5-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one?
5-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one has a molecular weight of 222.17 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one is sourced from PubChem (CID 106704819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).