4,6-dimethyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one

C12H16F3NO — CID 146552143

IUPAC4,6-dimethyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESCc1cc(=O)n(CC(F)(F)F)c(C)c1C(C)C
InChIInChI=1S/C12H16F3NO/c1-7(2)11-8(3)5-10(17)16(9(11)4)6-12(13,14)15/h5,7H,6H2,1-4H3
InChIKeyCNFVELGUTHDCKI-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.15
Rot. Bonds2

About 4,6-dimethyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one

4,6-dimethyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 146552143) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 4,6-dimethyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID146552143
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name4,6-dimethyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESCc1cc(=O)n(CC(F)(F)F)c(C)c1C(C)C
InChIInChI=1S/C12H16F3NO/c1-7(2)11-8(3)5-10(17)16(9(11)4)6-12(13,14)15/h5,7H,6H2,1-4H3
InChIKeyCNFVELGUTHDCKI-UHFFFAOYSA-N
XLogP3.15
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The IUPAC name of 4,6-dimethyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one (CID 146552143) is 4,6-dimethyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one is Cc1cc(=O)n(CC(F)(F)F)c(C)c1C(C)C.
What is the InChIKey of 4,6-dimethyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is CNFVELGUTHDCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-7(2)11-8(3)5-10(17)16(9(11)4)6-12(13,14)15/h5,7H,6H2,1-4H3.
What are the key properties of 4,6-dimethyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
4,6-dimethyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 247.26 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 146552143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).