3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one

C10H12F3NO — CID 155010294

IUPAC3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESCC(C)c1cccn(CC(F)(F)F)c1=O
InChIInChI=1S/C10H12F3NO/c1-7(2)8-4-3-5-14(9(8)15)6-10(11,12)13/h3-5,7H,6H2,1-2H3
InChIKeyXVBZSLZOPOMJHL-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.53
Rot. Bonds2

About 3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one

3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 155010294) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID155010294
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESCC(C)c1cccn(CC(F)(F)F)c1=O
InChIInChI=1S/C10H12F3NO/c1-7(2)8-4-3-5-14(9(8)15)6-10(11,12)13/h3-5,7H,6H2,1-2H3
InChIKeyXVBZSLZOPOMJHL-UHFFFAOYSA-N
XLogP2.53
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The IUPAC name of 3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one (CID 155010294) is 3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one.
What is the SMILES notation for 3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The canonical SMILES for 3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one is CC(C)c1cccn(CC(F)(F)F)c1=O.
What is the InChIKey of 3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is XVBZSLZOPOMJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-7(2)8-4-3-5-14(9(8)15)6-10(11,12)13/h3-5,7H,6H2,1-2H3.
What are the key properties of 3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 219.21 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 155010294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).