3-tert-butyl-1-methyl-5-(trifluoromethyl)pyridin-2-one

C11H14F3NO — CID 146614337

IUPAC3-tert-butyl-1-methyl-5-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(C(F)(F)F)cc(C(C)(C)C)c1=O
InChIInChI=1S/C11H14F3NO/c1-10(2,3)8-5-7(11(12,13)14)6-15(4)9(8)16/h5-6H,1-4H3
InChIKeyXKIOLEKEUNZDBV-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.70
Rot. Bonds

About 3-tert-butyl-1-methyl-5-(trifluoromethyl)pyridin-2-one

3-tert-butyl-1-methyl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 146614337) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-5-(trifluoromethyl)pyridin-2-one
PubChem CID146614337
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name3-tert-butyl-1-methyl-5-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(C(F)(F)F)cc(C(C)(C)C)c1=O
InChIInChI=1S/C11H14F3NO/c1-10(2,3)8-5-7(11(12,13)14)6-15(4)9(8)16/h5-6H,1-4H3
InChIKeyXKIOLEKEUNZDBV-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-tert-butyl-1-methyl-5-(trifluoromethyl)pyridin-2-one (CID 146614337) is 3-tert-butyl-1-methyl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-tert-butyl-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-tert-butyl-1-methyl-5-(trifluoromethyl)pyridin-2-one is Cn1cc(C(F)(F)F)cc(C(C)(C)C)c1=O.
What is the InChIKey of 3-tert-butyl-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is XKIOLEKEUNZDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-10(2,3)8-5-7(11(12,13)14)6-15(4)9(8)16/h5-6H,1-4H3.
What are the key properties of 3-tert-butyl-1-methyl-5-(trifluoromethyl)pyridin-2-one?
3-tert-butyl-1-methyl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 233.23 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 146614337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).