6-tert-butyl-3-methyl-5-(trifluoromethyl)-1H-pyridin-2-one

C11H14F3NO — CID 169256225

IUPAC6-tert-butyl-3-methyl-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(C(C)(C)C)[nH]c1=O
InChIInChI=1S/C11H14F3NO/c1-6-5-7(11(12,13)14)8(10(2,3)4)15-9(6)16/h5H,1-4H3,(H,15,16)
InChIKeyVMMWKLKVAUHTDJ-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.00
Rot. Bonds

About 6-tert-butyl-3-methyl-5-(trifluoromethyl)-1H-pyridin-2-one

6-tert-butyl-3-methyl-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 169256225) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 6-tert-butyl-3-methyl-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-tert-butyl-3-methyl-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID169256225
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name6-tert-butyl-3-methyl-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(C(C)(C)C)[nH]c1=O
InChIInChI=1S/C11H14F3NO/c1-6-5-7(11(12,13)14)8(10(2,3)4)15-9(6)16/h5H,1-4H3,(H,15,16)
InChIKeyVMMWKLKVAUHTDJ-UHFFFAOYSA-N
XLogP3.00
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-Methyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 2782992
6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile
CID 1480186
4-Methyl-6-(trifluoromethyl)pyridin-2(1H)-one
CID 10035141
4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one
CID 10105131
3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15210459
5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 18723546
6-butyl-3-(fluoromethyl)-1H-pyridin-2-one
CID 19012326
5-(1,1-difluoroethyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 21690634
5-Methyl-6-(trifluoromethyl)pyridin-2-ol
CID 58172802
3-Methyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 59340901
6-propan-2-yl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 59665145
6-(2-Fluoropropan-2-yl)pyridin-2-ol
CID 59928343

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-methyl-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-tert-butyl-3-methyl-5-(trifluoromethyl)-1H-pyridin-2-one (CID 169256225) is 6-tert-butyl-3-methyl-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-tert-butyl-3-methyl-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-tert-butyl-3-methyl-5-(trifluoromethyl)-1H-pyridin-2-one is Cc1cc(C(F)(F)F)c(C(C)(C)C)[nH]c1=O.
What is the InChIKey of 6-tert-butyl-3-methyl-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is VMMWKLKVAUHTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-6-5-7(11(12,13)14)8(10(2,3)4)15-9(6)16/h5H,1-4H3,(H,15,16).
What are the key properties of 6-tert-butyl-3-methyl-5-(trifluoromethyl)-1H-pyridin-2-one?
6-tert-butyl-3-methyl-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 233.23 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-methyl-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 169256225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).