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

C13H18F3NO — CID 134418673

IUPAC1,6-dimethyl-3-pentan-2-yl-4-(trifluoromethyl)pyridin-2-one
SMILESCCCC(C)c1c(C(F)(F)F)cc(C)n(C)c1=O
InChIInChI=1S/C13H18F3NO/c1-5-6-8(2)11-10(13(14,15)16)7-9(3)17(4)12(11)18/h7-8H,5-6H2,1-4H3
InChIKeyIKYBWBJWOXTFRO-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.62
Rot. Bonds3

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

1,6-dimethyl-3-pentan-2-yl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 134418673) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 1,6-dimethyl-3-pentan-2-yl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-3-pentan-2-yl-4-(trifluoromethyl)pyridin-2-one
PubChem CID134418673
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name1,6-dimethyl-3-pentan-2-yl-4-(trifluoromethyl)pyridin-2-one
SMILESCCCC(C)c1c(C(F)(F)F)cc(C)n(C)c1=O
InChIInChI=1S/C13H18F3NO/c1-5-6-8(2)11-10(13(14,15)16)7-9(3)17(4)12(11)18/h7-8H,5-6H2,1-4H3
InChIKeyIKYBWBJWOXTFRO-UHFFFAOYSA-N
XLogP3.62
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.62
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
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
1,6-Dimethyl-3-propyl-4-(trifluoromethyl)pyridin-2-one
CID 163952265
3-Ethyl-4,6-dimethyl-1-[3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]butyl]pyridin-2-one
CID 167006043
1-Methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one
CID 170587228
3-Butan-2-yl-5-[2-(dimethylamino)ethyl]-1-methyl-6-(trifluoromethyl)pyridin-2-one
CID 170588482
3-Butan-2-yl-1-(2,2-difluoroethyl)pyridin-2-one
CID 178099166
1-[4-(1-Ethyl-5-fluoro-2-oxo-3-pyridinyl)pentyl]-4-fluoro-3-propan-2-ylpyridin-2-one
CID 178099278
3-Butan-2-yl-1-(2,2-difluoroethyl)-5-fluoropyridin-2-one
CID 178099450
1-(3,3-Difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one
CID 157115266
1,3-Dibutyl-6-methylpyridin-2-one
CID 22266491

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-pentan-2-yl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1,6-dimethyl-3-pentan-2-yl-4-(trifluoromethyl)pyridin-2-one (CID 134418673) is 1,6-dimethyl-3-pentan-2-yl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-3-pentan-2-yl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1,6-dimethyl-3-pentan-2-yl-4-(trifluoromethyl)pyridin-2-one is CCCC(C)c1c(C(F)(F)F)cc(C)n(C)c1=O.
What is the InChIKey of 1,6-dimethyl-3-pentan-2-yl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is IKYBWBJWOXTFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-5-6-8(2)11-10(13(14,15)16)7-9(3)17(4)12(11)18/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,6-dimethyl-3-pentan-2-yl-4-(trifluoromethyl)pyridin-2-one?
1,6-dimethyl-3-pentan-2-yl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 261.29 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-pentan-2-yl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 134418673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).