5-propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one

C11H14F3NO — CID 58592703

IUPAC5-propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one
SMILESCC(C)c1ccc(=O)n(CCC(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-8(2)9-3-4-10(16)15(7-9)6-5-11(12,13)14/h3-4,7-8H,5-6H2,1-2H3
InChIKeyYJEHJXZKEXFOSZ-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.92
Rot. Bonds3

About 5-propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one

5-propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one (PubChem CID 58592703) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one.

Molecular Properties

Compound Name5-propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one
PubChem CID58592703
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name5-propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one
SMILESCC(C)c1ccc(=O)n(CCC(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-8(2)9-3-4-10(16)15(7-9)6-5-11(12,13)14/h3-4,7-8H,5-6H2,1-2H3
InChIKeyYJEHJXZKEXFOSZ-UHFFFAOYSA-N
XLogP2.92
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-Oxo-5-(trifluoromethyl)pyridin-1(2H)-yl)propanenitrile
CID 2736732
2(1H)-Pyridinone, 1-methyl-5-(trifluoromethyl)-
CID 4534802
1-(3,3,3-Trifluoro-1-pentafluoroethyl-2-trifluorometh-ylpropenyl)-1h-pyridin-2-one
CID 12726242
5-Ethyl-1-propylpyridin-2-one
CID 13169254
1-[(1-Methyl-2-oxopyridin-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 53530146
1-(2-Oxopropyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 60643006
1-(Cyclobutylmethyl)-5-(trifluoromethyl)pyridin-2-one
CID 84584960
2-[3-Methyl-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetonitrile
CID 14836978
2-[2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetonitrile
CID 14836987
3-Fluoro-5-methyl-1-propan-2-ylpyridin-2-one
CID 57640466
1-(2-Methylidenebutyl)-5-(trifluoromethyl)pyridin-2-one
CID 57985838
1-(3-Oxobutyl)-5-(trifluoromethyl)pyridin-2-one
CID 57986013

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one?
The IUPAC name of 5-propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one (CID 58592703) is 5-propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one.
What is the SMILES notation for 5-propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one?
The canonical SMILES for 5-propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one is CC(C)c1ccc(=O)n(CCC(F)(F)F)c1.
What is the InChIKey of 5-propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one?
The InChIKey is YJEHJXZKEXFOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-8(2)9-3-4-10(16)15(7-9)6-5-11(12,13)14/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 5-propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one?
5-propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one has a molecular weight of 233.23 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one is sourced from PubChem (CID 58592703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).