1,4,6-trimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

C12H16F3NO — CID 153496485

IUPAC1,4,6-trimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCc1c(C(F)(F)F)c(C)n(C)c(=O)c1C(C)C
InChIInChI=1S/C12H16F3NO/c1-6(2)9-7(3)10(12(13,14)15)8(4)16(5)11(9)17/h6H,1-5H3
InChIKeyVFMYQVGVAVQMAU-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.14
Rot. Bonds1

About 1,4,6-trimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

1,4,6-trimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 153496485) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 1,4,6-trimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1,4,6-trimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
PubChem CID153496485
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name1,4,6-trimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCc1c(C(F)(F)F)c(C)n(C)c(=O)c1C(C)C
InChIInChI=1S/C12H16F3NO/c1-6(2)9-7(3)10(12(13,14)15)8(4)16(5)11(9)17/h6H,1-5H3
InChIKeyVFMYQVGVAVQMAU-UHFFFAOYSA-N
XLogP3.14
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,6-Dimethyl-3-propan-2-yl-4-(trifluoromethyl)pyridin-2-one
CID 89458525
1,3,6-Trimethyl-4-(trifluoromethyl)pyridin-2-one
CID 89469037
1-Ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 118301545
4-(Difluoromethyl)-1,3,6-trimethylpyridin-2-one
CID 124019262
3-Ethyl-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
CID 134419157
1-Ethyl-3,4-dimethyl-6-(trifluoromethyl)pyridin-2-one
CID 145311455
4-(1,1-Difluoroethyl)-1,6-dimethyl-3-propan-2-ylpyridin-2-one
CID 145615182
3-But-3-en-2-yl-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
CID 145615234
1,4-Dimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 146614847
1-methyl-3-propan-2-yl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 146615380
3-Ethyl-1,4,6-trimethyl-5-(trifluoromethyl)pyridin-2-one
CID 146630370
1,6-Dimethyl-3-prop-1-en-2-yl-4-(trifluoromethyl)pyridin-2-one
CID 146769049

Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1,4,6-trimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (CID 153496485) is 1,4,6-trimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1,4,6-trimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1,4,6-trimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is Cc1c(C(F)(F)F)c(C)n(C)c(=O)c1C(C)C.
What is the InChIKey of 1,4,6-trimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is VFMYQVGVAVQMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-6(2)9-7(3)10(12(13,14)15)8(4)16(5)11(9)17/h6H,1-5H3.
What are the key properties of 1,4,6-trimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
1,4,6-trimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 247.26 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 153496485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).