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

C10H12F3NO — CID 170587228

IUPAC1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one
SMILESCC(C)c1ccc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C10H12F3NO/c1-6(2)7-4-5-8(10(11,12)13)14(3)9(7)15/h4-6H,1-3H3
InChIKeyGMZHFFNWWOAARA-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.53
Rot. Bonds1

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

1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one (PubChem CID 170587228) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one
PubChem CID170587228
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one
SMILESCC(C)c1ccc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C10H12F3NO/c1-6(2)7-4-5-8(10(11,12)13)14(3)9(7)15/h4-6H,1-3H3
InChIKeyGMZHFFNWWOAARA-UHFFFAOYSA-N
XLogP2.53
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one (CID 170587228) is 1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one is CC(C)c1ccc(C(F)(F)F)n(C)c1=O.
What is the InChIKey of 1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is GMZHFFNWWOAARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-6(2)7-4-5-8(10(11,12)13)14(3)9(7)15/h4-6H,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one?
1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 219.21 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 170587228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).