Basic information
- Standard SMILES
COc1cccc(OC)c1C1CCC(=O)N1Cc1ccc(OC(F)(F)F)cc1- InChIKey
JXOZVFVJLIGZMP-UHFFFAOYSA-N- Molecular formula
- C20H20F3NO4
- Average molar mass
- 395.4 g/mol
- Monoisotopic mass
- 395.13444261
Names & identifiers
- Preferred name
- 5-(2,6-Dimethoxyphenyl)-1-(4-(trifluoromethoxy)benzyl)pyrrolidin-2-one
- IUPAC
- 5-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
Names & synonyms
CHEMBL31137735-(2,6-dimethoxyphenyl)-1-(4-(trifluoromethoxy)benzyl)pyrrolidin-2-oneSCHEMBL4541354BDBM50447783
Database identifiers
- PubChem CID
- 69085010
- ChEMBL
CHEMBL3113773
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 510
Related reactions
2 records
Compound notes
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