1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one

C16H16F3NO — CID 12879322

IUPAC1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESCC(C)c1cn(C)cc(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C16H16F3NO/c1-10(2)13-8-20(3)9-14(15(13)21)11-5-4-6-12(7-11)16(17,18)19/h4-10H,1-3H3
InChIKeyVZMJINAOKCEPAN-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.19
Rot. Bonds2

About 1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one

1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one (PubChem CID 12879322) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
PubChem CID12879322
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESCC(C)c1cn(C)cc(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C16H16F3NO/c1-10(2)13-8-20(3)9-14(15(13)21)11-5-4-6-12(7-11)16(17,18)19/h4-10H,1-3H3
InChIKeyVZMJINAOKCEPAN-UHFFFAOYSA-N
XLogP4.19
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethylphenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 12879369
3-(2,4-dimethylphenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 12879381
3-benzoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 13201825
1-methyl-3-(1H-1,2,4-triazol-5-yl)-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 70513834
3-(2,5-dichlorophenoxy)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 12879389
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
2-methyl-5-[3-(trifluoromethyl)phenyl]-4H-pyrazol-3-one
CID 11085932
1,3-bis[2,6-di(propan-2-yl)phenyl]-5-(trifluoromethyl)benzene
CID 101460916
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid
CID 117222908
3,4-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrole-2,5-dione
CID 71086534
2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one
CID 12813207
1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 61264904

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The IUPAC name of 1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one (CID 12879322) is 1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one.
What is the SMILES notation for 1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The canonical SMILES for 1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one is CC(C)c1cn(C)cc(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The InChIKey is VZMJINAOKCEPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-10(2)13-8-20(3)9-14(15(13)21)11-5-4-6-12(7-11)16(17,18)19/h4-10H,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one has a molecular weight of 295.30 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one is sourced from PubChem (CID 12879322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).