Basic information
- Standard SMILES
COc1ccc(OC(F)(F)F)cc1C(=O)N1CCC(CCO)(c2ccccc2)C1- InChIKey
ITRZJLKPAGRUBN-UHFFFAOYSA-N- Molecular formula
- C21H22F3NO4
- Average molar mass
- 409.4 g/mol
Names & identifiers
- Preferred name
- 1-(2-Methoxy-5-trifluoromethoxybenzoyl)-3-phenyl-3-(2-hydroxyethyl)pyrrolidine
- IUPAC
- [3-(2-hydroxyethyl)-3-phenylpyrrolidin-1-yl]-[2-methoxy-5-(trifluoromethoxy)phenyl]methanone
Names & synonyms
1-(2-methoxy-5-trifluoromethoxybenzoyl)-3-phenyl-3-(2-hydroxyethyl)pyrrolidineSCHEMBL6997831
Database identifiers
- PubChem CID
- 22009408
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 553
Related reactions
2 records
Compound notes
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