4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one

C9H10F3NO — CID 115644259

IUPAC4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one
SMILESCc1ccn(CCC(F)(F)F)c(=O)c1
InChIInChI=1S/C9H10F3NO/c1-7-2-4-13(8(14)6-7)5-3-9(10,11)12/h2,4,6H,3,5H2,1H3
InChIKeyWLOCRDZWSIKPFB-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.11
Rot. Bonds2

About 4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one

4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one (PubChem CID 115644259) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one
PubChem CID115644259
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one
SMILESCc1ccn(CCC(F)(F)F)c(=O)c1
InChIInChI=1S/C9H10F3NO/c1-7-2-4-13(8(14)6-7)5-3-9(10,11)12/h2,4,6H,3,5H2,1H3
InChIKeyWLOCRDZWSIKPFB-UHFFFAOYSA-N
XLogP2.11
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one?
The IUPAC name of 4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one (CID 115644259) is 4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one.
What is the SMILES notation for 4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one?
The canonical SMILES for 4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one is Cc1ccn(CCC(F)(F)F)c(=O)c1.
What is the InChIKey of 4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one?
The InChIKey is WLOCRDZWSIKPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-7-2-4-13(8(14)6-7)5-3-9(10,11)12/h2,4,6H,3,5H2,1H3.
What are the key properties of 4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one?
4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one has a molecular weight of 205.18 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one is sourced from PubChem (CID 115644259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).