1-phenyl-5-(2,2,2-trifluoroacetyl)pyridin-2-one

C13H8F3NO2 — CID 58016488

IUPAC1-phenyl-5-(2,2,2-trifluoroacetyl)pyridin-2-one
SMILESO=C(c1ccc(=O)n(-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)12(19)9-6-7-11(18)17(8-9)10-4-2-1-3-5-10/h1-8H
InChIKeyLOOPPEGREFGCJU-UHFFFAOYSA-N
MW267.21 g/mol
LogP2.58
Rot. Bonds2

About 1-phenyl-5-(2,2,2-trifluoroacetyl)pyridin-2-one

1-phenyl-5-(2,2,2-trifluoroacetyl)pyridin-2-one (PubChem CID 58016488) has the molecular formula C13H8F3NO2 and a molecular weight of 267.21 g/mol. Its IUPAC name is 1-phenyl-5-(2,2,2-trifluoroacetyl)pyridin-2-one.

Molecular Properties

Compound Name1-phenyl-5-(2,2,2-trifluoroacetyl)pyridin-2-one
PubChem CID58016488
Molecular FormulaC13H8F3NO2
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Name1-phenyl-5-(2,2,2-trifluoroacetyl)pyridin-2-one
SMILESO=C(c1ccc(=O)n(-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)12(19)9-6-7-11(18)17(8-9)10-4-2-1-3-5-10/h1-8H
InChIKeyLOOPPEGREFGCJU-UHFFFAOYSA-N
XLogP2.58
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(2,2,2-trifluoroacetyl)pyridin-2-one?
The IUPAC name of 1-phenyl-5-(2,2,2-trifluoroacetyl)pyridin-2-one (CID 58016488) is 1-phenyl-5-(2,2,2-trifluoroacetyl)pyridin-2-one.
What is the SMILES notation for 1-phenyl-5-(2,2,2-trifluoroacetyl)pyridin-2-one?
The canonical SMILES for 1-phenyl-5-(2,2,2-trifluoroacetyl)pyridin-2-one is O=C(c1ccc(=O)n(-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of 1-phenyl-5-(2,2,2-trifluoroacetyl)pyridin-2-one?
The InChIKey is LOOPPEGREFGCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2/c14-13(15,16)12(19)9-6-7-11(18)17(8-9)10-4-2-1-3-5-10/h1-8H.
What are the key properties of 1-phenyl-5-(2,2,2-trifluoroacetyl)pyridin-2-one?
1-phenyl-5-(2,2,2-trifluoroacetyl)pyridin-2-one has a molecular weight of 267.21 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(2,2,2-trifluoroacetyl)pyridin-2-one is sourced from PubChem (CID 58016488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).