1-(2-oxo-2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-one

C12H8F3NO2S — CID 60643365

IUPAC1-(2-oxo-2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)c1cccs1
InChIInChI=1S/C12H8F3NO2S/c13-12(14,15)8-3-4-11(18)16(6-8)7-9(17)10-2-1-5-19-10/h1-6H,7H2
InChIKeyLRVHDGUXMPWCAV-UHFFFAOYSA-N
MW287.26 g/mol
LogP2.81
Rot. Bonds3

About 1-(2-oxo-2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-one

1-(2-oxo-2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 60643365) has the molecular formula C12H8F3NO2S and a molecular weight of 287.26 g/mol. Its IUPAC name is 1-(2-oxo-2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-oxo-2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID60643365
Molecular FormulaC12H8F3NO2S
Molecular Weight287.26 g/mol
Exact Mass287.02
IUPAC Name1-(2-oxo-2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)c1cccs1
InChIInChI=1S/C12H8F3NO2S/c13-12(14,15)8-3-4-11(18)16(6-8)7-9(17)10-2-1-5-19-10/h1-6H,7H2
InChIKeyLRVHDGUXMPWCAV-UHFFFAOYSA-N
XLogP2.81
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2-oxo-2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-one (CID 60643365) is 1-(2-oxo-2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-oxo-2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2-oxo-2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-one is O=C(Cn1cc(C(F)(F)F)ccc1=O)c1cccs1.
What is the InChIKey of 1-(2-oxo-2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is LRVHDGUXMPWCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2S/c13-12(14,15)8-3-4-11(18)16(6-8)7-9(17)10-2-1-5-19-10/h1-6H,7H2.
What are the key properties of 1-(2-oxo-2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-one?
1-(2-oxo-2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 287.26 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 60643365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).