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

C8H8F3NO — CID 22382014

IUPAC1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)cc(=O)n1C
InChIInChI=1S/C8H8F3NO/c1-5-3-6(8(9,10)11)4-7(13)12(5)2/h3-4H,1-2H3
InChIKeyHNYLUXHTOKEYDF-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.71
Rot. Bonds

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

1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 22382014) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
PubChem CID22382014
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)cc(=O)n1C
InChIInChI=1S/C8H8F3NO/c1-5-3-6(8(9,10)11)4-7(13)12(5)2/h3-4H,1-2H3
InChIKeyHNYLUXHTOKEYDF-UHFFFAOYSA-N
XLogP1.71
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one (CID 22382014) is 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one is Cc1cc(C(F)(F)F)cc(=O)n1C.
What is the InChIKey of 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is HNYLUXHTOKEYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-5-3-6(8(9,10)11)4-7(13)12(5)2/h3-4H,1-2H3.
What are the key properties of 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one?
1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 191.15 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 22382014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).