Basic information
- Standard SMILES
Cc1nc(C(F)(F)F)ccc1C(=O)CC(=O)C1CC1- InChIKey
PDVULCPGNMYAJQ-UHFFFAOYSA-N- Molecular formula
- C13H12F3NO2
- Average molar mass
- 271.23 g/mol
Names & identifiers
- Preferred name
- 1-Cyclopropyl-3-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]propane-1,3-dione
- IUPAC
- 1-cyclopropyl-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propane-1,3-dione
Names & synonyms
1-cyclopropyl-3-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]propane-1,3-dioneSCHEMBL51616791-cyclopropyl-3-(2-methyl-6-trifluoromethyl-pyridin-3-yl)-propane-1,3-dione
Database identifiers
- PubChem CID
- 22483922
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 377
Related reactions
2 records
Compound notes
Loading…