6-methyl-1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one

C9H8F3NO2 — CID 174925641

IUPAC6-methyl-1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one
SMILESCc1cccc(=O)n1CC(=O)C(F)(F)F
InChIInChI=1S/C9H8F3NO2/c1-6-3-2-4-8(15)13(6)5-7(14)9(10,11)12/h2-4H,5H2,1H3
InChIKeySDQKAZFVBKTGKP-UHFFFAOYSA-N
MW219.16 g/mol
LogP1.29
Rot. Bonds2

About 6-methyl-1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one

6-methyl-1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one (PubChem CID 174925641) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is 6-methyl-1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one
PubChem CID174925641
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name6-methyl-1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one
SMILESCc1cccc(=O)n1CC(=O)C(F)(F)F
InChIInChI=1S/C9H8F3NO2/c1-6-3-2-4-8(15)13(6)5-7(14)9(10,11)12/h2-4H,5H2,1H3
InChIKeySDQKAZFVBKTGKP-UHFFFAOYSA-N
XLogP1.29
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one?
The IUPAC name of 6-methyl-1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one (CID 174925641) is 6-methyl-1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one.
What is the SMILES notation for 6-methyl-1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one?
The canonical SMILES for 6-methyl-1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one is Cc1cccc(=O)n1CC(=O)C(F)(F)F.
What is the InChIKey of 6-methyl-1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one?
The InChIKey is SDQKAZFVBKTGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-6-3-2-4-8(15)13(6)5-7(14)9(10,11)12/h2-4H,5H2,1H3.
What are the key properties of 6-methyl-1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one?
6-methyl-1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one has a molecular weight of 219.16 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one is sourced from PubChem (CID 174925641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).