1-tert-butyl-3-methyl-4-(trifluoromethyl)pyridin-2-one

C11H14F3NO — CID 130178153

IUPAC1-tert-butyl-3-methyl-4-(trifluoromethyl)pyridin-2-one
SMILESCc1c(C(F)(F)F)ccn(C(C)(C)C)c1=O
InChIInChI=1S/C11H14F3NO/c1-7-8(11(12,13)14)5-6-15(9(7)16)10(2,3)4/h5-6H,1-4H3
InChIKeyIKFVJKGGUPBTTI-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.93
Rot. Bonds

About 1-tert-butyl-3-methyl-4-(trifluoromethyl)pyridin-2-one

1-tert-butyl-3-methyl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 130178153) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-methyl-4-(trifluoromethyl)pyridin-2-one
PubChem CID130178153
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1-tert-butyl-3-methyl-4-(trifluoromethyl)pyridin-2-one
SMILESCc1c(C(F)(F)F)ccn(C(C)(C)C)c1=O
InChIInChI=1S/C11H14F3NO/c1-7-8(11(12,13)14)5-6-15(9(7)16)10(2,3)4/h5-6H,1-4H3
InChIKeyIKFVJKGGUPBTTI-UHFFFAOYSA-N
XLogP2.93
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,4-Trimethylpyridin-2-one
CID 13834744
2(1H)-Pyridinone, 4-methyl-1-propyl-
CID 45082947
1-(2-Methylidenebutyl)-5-(trifluoromethyl)pyridin-2-one
CID 57985838
1-Propan-2-yl-3-(trifluoromethyl)pyridin-2-one
CID 59225358
3-Methyl-2-(trifluoromethyl)quinolizin-4-one
CID 59284176
1-(2-Methylpropyl)-4-(trifluoromethyl)pyridin-2-one
CID 59447799
3-Methyl-1-(2,2,2-trifluoroethyl)pyridin-2(1H)-one
CID 67345591
1-(2-Methylpropyl)-5-(trifluoromethyl)pyridin-2-one
CID 67473511
1-Pentyl-4-(trifluoromethyl)pyridin-2-one
CID 70009002
1-(2-Methylpropyl)-3-(trifluoromethyl)pyridin-2-one
CID 70905371
1-Propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 84314129
1-Ethyl-4-(trifluoromethyl)pyridin-2-one
CID 89042559

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methyl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-tert-butyl-3-methyl-4-(trifluoromethyl)pyridin-2-one (CID 130178153) is 1-tert-butyl-3-methyl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-tert-butyl-3-methyl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-tert-butyl-3-methyl-4-(trifluoromethyl)pyridin-2-one is Cc1c(C(F)(F)F)ccn(C(C)(C)C)c1=O.
What is the InChIKey of 1-tert-butyl-3-methyl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is IKFVJKGGUPBTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-7-8(11(12,13)14)5-6-15(9(7)16)10(2,3)4/h5-6H,1-4H3.
What are the key properties of 1-tert-butyl-3-methyl-4-(trifluoromethyl)pyridin-2-one?
1-tert-butyl-3-methyl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 233.23 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methyl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 130178153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).