2,6-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-one

C15H14F3NO — CID 594649

IUPAC2,6-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-one
SMILESCc1cc(=O)cc(C)n1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3NO/c1-10-6-14(20)7-11(2)19(10)9-12-4-3-5-13(8-12)15(16,17)18/h3-8H,9H2,1-2H3
InChIKeyIFRXAEUJHFQBBE-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.53
Rot. Bonds2

About 2,6-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-one

2,6-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-one (PubChem CID 594649) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 2,6-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-one
PubChem CID594649
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name2,6-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-one
SMILESCc1cc(=O)cc(C)n1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3NO/c1-10-6-14(20)7-11(2)19(10)9-12-4-3-5-13(8-12)15(16,17)18/h3-8H,9H2,1-2H3
InChIKeyIFRXAEUJHFQBBE-UHFFFAOYSA-N
XLogP3.53
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclohexenone, 3-(3-trifluoromethylbenzylamino)-5,5-dimethyl-
CID 611354
1-Methyl-2,6-diphenylpyridin-4(1h)-one
CID 292247
(E)-4-(4-benzylpiperazino)-1,1,1-trifluoro-3-buten-2-one
CID 5940196
N-Methyl-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
CID 22660933
(E)-4-[benzyl(methyl)amino]-1,1,1-trifluoro-3-buten-2-one
CID 5898736
(E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoro-1-penten-3-one
CID 6183943
3-[[4-Fluoro-3-(trifluoromethyl)phenyl]methylamino]-5-(trifluoromethyl)cyclohex-2-en-1-one
CID 155518350
3-Phenyl-8a-(trifluoromethyl)indolizin-1-one
CID 162673869
1-benzylpyridin-4(1H)-one
CID 12237889
4-Benzylamino-pent-3-en-2-one
CID 5368278
(Z)-1,1,1-trifluoro-4-(methylamino)-4-phenylbut-3-en-2-one
CID 6069523
(Z)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,1,1-trifluoropent-3-en-2-one
CID 8003269

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-one?
The IUPAC name of 2,6-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-one (CID 594649) is 2,6-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-one.
What is the SMILES notation for 2,6-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-one?
The canonical SMILES for 2,6-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-one is Cc1cc(=O)cc(C)n1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,6-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-one?
The InChIKey is IFRXAEUJHFQBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-10-6-14(20)7-11(2)19(10)9-12-4-3-5-13(8-12)15(16,17)18/h3-8H,9H2,1-2H3.
What are the key properties of 2,6-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-one?
2,6-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-one has a molecular weight of 281.28 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-one is sourced from PubChem (CID 594649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).