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

C11H14F3NO — CID 89458525

IUPAC1,6-dimethyl-3-propan-2-yl-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(C(C)C)c(=O)n1C
InChIInChI=1S/C11H14F3NO/c1-6(2)9-8(11(12,13)14)5-7(3)15(4)10(9)16/h5-6H,1-4H3
InChIKeyCIYQQQJNGQAMOC-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.84
Rot. Bonds1

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

1,6-dimethyl-3-propan-2-yl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 89458525) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1,6-dimethyl-3-propan-2-yl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-3-propan-2-yl-4-(trifluoromethyl)pyridin-2-one
PubChem CID89458525
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1,6-dimethyl-3-propan-2-yl-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(C(C)C)c(=O)n1C
InChIInChI=1S/C11H14F3NO/c1-6(2)9-8(11(12,13)14)5-7(3)15(4)10(9)16/h5-6H,1-4H3
InChIKeyCIYQQQJNGQAMOC-UHFFFAOYSA-N
XLogP2.84
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-propan-2-yl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1,6-dimethyl-3-propan-2-yl-4-(trifluoromethyl)pyridin-2-one (CID 89458525) is 1,6-dimethyl-3-propan-2-yl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-3-propan-2-yl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1,6-dimethyl-3-propan-2-yl-4-(trifluoromethyl)pyridin-2-one is Cc1cc(C(F)(F)F)c(C(C)C)c(=O)n1C.
What is the InChIKey of 1,6-dimethyl-3-propan-2-yl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is CIYQQQJNGQAMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-6(2)9-8(11(12,13)14)5-7(3)15(4)10(9)16/h5-6H,1-4H3.
What are the key properties of 1,6-dimethyl-3-propan-2-yl-4-(trifluoromethyl)pyridin-2-one?
1,6-dimethyl-3-propan-2-yl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 233.23 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-propan-2-yl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 89458525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).