Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ccc(OCc2ccc(F)c(F)c2)cc1- InChIKey
ZRLADSHHLSUAQC-QGZVFWFLSA-N- Molecular formula
- C23H27F2NO4
- Average molar mass
- 419.5 g/mol
- Monoisotopic mass
- 419.19081467
Names & identifiers
- Preferred name
- (r)-2-[4-(3,4-Difluoro-benzyloxy)-phenoxymethyl]-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (2R)-2-[[4-[(3,4-difluorophenyl)methoxy]phenoxy]methyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL4309607ZRLADSHHLSUAQC-QGZVFWFLSA-N(r)-2-[4-(3,4-difluoro-benzyloxy)-phenoxymethyl]-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68997307
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 548
Related reactions
2 records
Compound notes
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