Basic information
- Standard SMILES
COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc(OC(F)(F)F)c(F)c1- InChIKey
VVSRDQVMSLZZIY-UHFFFAOYSA-N- Molecular formula
- C21H21F4NO4
- Average molar mass
- 427.4 g/mol
Names & identifiers
- Preferred name
- 5-(2,6-Dimethoxyphenyl)-1-(3-fluoro-4-(trifluoromethoxy)benzyl)-3-methylpyrrolidin-2-one
- IUPAC
- 5-(2,6-dimethoxyphenyl)-1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-2-one
Names & synonyms
5-(2,6-dimethoxyphenyl)-1-(3-fluoro-4-(trifluoromethoxy)benzyl)-3-methylpyrrolidin-2-oneSCHEMBL4538314CHEMBL3957833BDBM203217US9242970, 400
Database identifiers
- PubChem CID
- 69083472
- ChEMBL
CHEMBL3957833
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 578
Related reactions
1 records
Compound notes
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