3-tert-butyl-1-(2,2,2-trifluoroethyl)pyridin-2-one

C11H14F3NO — CID 164708121

IUPAC3-tert-butyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESCC(C)(C)c1cccn(CC(F)(F)F)c1=O
InChIInChI=1S/C11H14F3NO/c1-10(2,3)8-5-4-6-15(9(8)16)7-11(12,13)14/h4-6H,7H2,1-3H3
InChIKeyRGDCKPQNMDQKEM-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.71
Rot. Bonds1

About 3-tert-butyl-1-(2,2,2-trifluoroethyl)pyridin-2-one

3-tert-butyl-1-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 164708121) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-tert-butyl-1-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name3-tert-butyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID164708121
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name3-tert-butyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESCC(C)(C)c1cccn(CC(F)(F)F)c1=O
InChIInChI=1S/C11H14F3NO/c1-10(2,3)8-5-4-6-15(9(8)16)7-11(12,13)14/h4-6H,7H2,1-3H3
InChIKeyRGDCKPQNMDQKEM-UHFFFAOYSA-N
XLogP2.71
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The IUPAC name of 3-tert-butyl-1-(2,2,2-trifluoroethyl)pyridin-2-one (CID 164708121) is 3-tert-butyl-1-(2,2,2-trifluoroethyl)pyridin-2-one.
What is the SMILES notation for 3-tert-butyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The canonical SMILES for 3-tert-butyl-1-(2,2,2-trifluoroethyl)pyridin-2-one is CC(C)(C)c1cccn(CC(F)(F)F)c1=O.
What is the InChIKey of 3-tert-butyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is RGDCKPQNMDQKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-10(2,3)8-5-4-6-15(9(8)16)7-11(12,13)14/h4-6H,7H2,1-3H3.
What are the key properties of 3-tert-butyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
3-tert-butyl-1-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 233.23 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 164708121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).