1,6-dimethyl-3-propyl-4-(trifluoromethyl)pyridin-2-one

C11H14F3NO — CID 163952265

IUPAC1,6-dimethyl-3-propyl-4-(trifluoromethyl)pyridin-2-one
SMILESCCCc1c(C(F)(F)F)cc(C)n(C)c1=O
InChIInChI=1S/C11H14F3NO/c1-4-5-8-9(11(12,13)14)6-7(2)15(3)10(8)16/h6H,4-5H2,1-3H3
InChIKeySAIZSLBPZCTSCC-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.67
Rot. Bonds2

About 1,6-dimethyl-3-propyl-4-(trifluoromethyl)pyridin-2-one

1,6-dimethyl-3-propyl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 163952265) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1,6-dimethyl-3-propyl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-3-propyl-4-(trifluoromethyl)pyridin-2-one
PubChem CID163952265
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1,6-dimethyl-3-propyl-4-(trifluoromethyl)pyridin-2-one
SMILESCCCc1c(C(F)(F)F)cc(C)n(C)c1=O
InChIInChI=1S/C11H14F3NO/c1-4-5-8-9(11(12,13)14)6-7(2)15(3)10(8)16/h6H,4-5H2,1-3H3
InChIKeySAIZSLBPZCTSCC-UHFFFAOYSA-N
XLogP2.67
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,6-Dimethyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 22382014
1,4-dimethyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 22382050
3-Methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydroquinolizin-4-one
CID 59284218
6-methyl-7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one
CID 59284256
3-methyl-2-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
CID 59284297
1-Methyl-3-(trifluoromethyl)-6,7-dihydro-1H-cyclopenta[b]pyridine-2(5H)-one
CID 71737381
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
1,1-Difluoro-6-methyl-2,3-dihydroindolizin-5-one
CID 122633859
4-(Difluoromethyl)-1,3,6-trimethylpyridin-2-one
CID 124019262
1-Methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-2(1H)-one
CID 132966354
1,6-Dimethyl-3-pentan-2-yl-4-(trifluoromethyl)pyridin-2-one
CID 134418673

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-propyl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1,6-dimethyl-3-propyl-4-(trifluoromethyl)pyridin-2-one (CID 163952265) is 1,6-dimethyl-3-propyl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-3-propyl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1,6-dimethyl-3-propyl-4-(trifluoromethyl)pyridin-2-one is CCCc1c(C(F)(F)F)cc(C)n(C)c1=O.
What is the InChIKey of 1,6-dimethyl-3-propyl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is SAIZSLBPZCTSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-4-5-8-9(11(12,13)14)6-7(2)15(3)10(8)16/h6H,4-5H2,1-3H3.
What are the key properties of 1,6-dimethyl-3-propyl-4-(trifluoromethyl)pyridin-2-one?
1,6-dimethyl-3-propyl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 233.23 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-propyl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 163952265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).