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

C10H12F3NO — CID 155114434

IUPAC5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(=O)n(C(C)C)c1
InChIInChI=1S/C10H12F3NO/c1-6(2)14-5-7(3)4-8(9(14)15)10(11,12)13/h4-6H,1-3H3
InChIKeyLXFVSOAWMNPPJW-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.76
Rot. Bonds1

About 5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one

5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one (PubChem CID 155114434) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one
PubChem CID155114434
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(=O)n(C(C)C)c1
InChIInChI=1S/C10H12F3NO/c1-6(2)14-5-7(3)4-8(9(14)15)10(11,12)13/h4-6H,1-3H3
InChIKeyLXFVSOAWMNPPJW-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one (CID 155114434) is 5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one is Cc1cc(C(F)(F)F)c(=O)n(C(C)C)c1.
What is the InChIKey of 5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is LXFVSOAWMNPPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-6(2)14-5-7(3)4-8(9(14)15)10(11,12)13/h4-6H,1-3H3.
What are the key properties of 5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one?
5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 219.21 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 155114434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).