Basic information
- Standard SMILES
CCC1C(=O)C(C)(C)C(=O)N1c1ccc(C#N)c(C(F)(F)F)c1- InChIKey
DRAGFVYZSKPQCW-UHFFFAOYSA-N- Molecular formula
- C16H15F3N2O2
- Average molar mass
- 324.3 g/mol
Names & identifiers
- Preferred name
- 4-(5-Ethyl-3,3-dimethyl-2,4-dioxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile
- IUPAC
- 4-(5-ethyl-3,3-dimethyl-2,4-dioxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile
Names & synonyms
4-(5-ethyl-3,3-dimethyl-2,4-dioxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrileSCHEMBL1642207
Database identifiers
- PubChem CID
- 59557005
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 561
Related reactions
5 records
Compound notes
Loading…