6-methyl-1,4-di(propan-2-yl)-3-(trifluoromethyl)pyridin-2-one

C13H18F3NO — CID 165398047

IUPAC6-methyl-1,4-di(propan-2-yl)-3-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(C)C)c(C(F)(F)F)c(=O)n1C(C)C
InChIInChI=1S/C13H18F3NO/c1-7(2)10-6-9(5)17(8(3)4)12(18)11(10)13(14,15)16/h6-8H,1-5H3
InChIKeyFCFWRXVRQAKTAO-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.88
Rot. Bonds2

About 6-methyl-1,4-di(propan-2-yl)-3-(trifluoromethyl)pyridin-2-one

6-methyl-1,4-di(propan-2-yl)-3-(trifluoromethyl)pyridin-2-one (PubChem CID 165398047) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 6-methyl-1,4-di(propan-2-yl)-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1,4-di(propan-2-yl)-3-(trifluoromethyl)pyridin-2-one
PubChem CID165398047
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name6-methyl-1,4-di(propan-2-yl)-3-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(C)C)c(C(F)(F)F)c(=O)n1C(C)C
InChIInChI=1S/C13H18F3NO/c1-7(2)10-6-9(5)17(8(3)4)12(18)11(10)13(14,15)16/h6-8H,1-5H3
InChIKeyFCFWRXVRQAKTAO-UHFFFAOYSA-N
XLogP3.88
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.88
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
5-Propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one
CID 58592703
3-Methyl-2-(trifluoromethyl)quinolizin-4-one
CID 59284176
6-methyl-7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one
CID 59284256
(6E)-6-[(E)-2-fluoropent-2-enylidene]-5-methylidene-1-propylpyridin-2-one
CID 71032511
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
5-Fluoro-1,3-di(propan-2-yl)pyridin-2-one
CID 89728117
5-Methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one
CID 90064732
1-(2,2-Dimethylpropyl)-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-one
CID 90161780
5-(Difluoromethyl)-1-(3-methylideneocta-4,6-dien-4-yl)pyridin-2-one
CID 91164440

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,4-di(propan-2-yl)-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 6-methyl-1,4-di(propan-2-yl)-3-(trifluoromethyl)pyridin-2-one (CID 165398047) is 6-methyl-1,4-di(propan-2-yl)-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 6-methyl-1,4-di(propan-2-yl)-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 6-methyl-1,4-di(propan-2-yl)-3-(trifluoromethyl)pyridin-2-one is Cc1cc(C(C)C)c(C(F)(F)F)c(=O)n1C(C)C.
What is the InChIKey of 6-methyl-1,4-di(propan-2-yl)-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is FCFWRXVRQAKTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-7(2)10-6-9(5)17(8(3)4)12(18)11(10)13(14,15)16/h6-8H,1-5H3.
What are the key properties of 6-methyl-1,4-di(propan-2-yl)-3-(trifluoromethyl)pyridin-2-one?
6-methyl-1,4-di(propan-2-yl)-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 261.29 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,4-di(propan-2-yl)-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 165398047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).