Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC[C@@H]([C@H](Oc2c(F)ccc(F)c2Cl)c2ccccc2)C1- InChIKey
WMXIEJLPSIHWSI-DNVCBOLYSA-N- Molecular formula
- C22H24ClF2NO3
- Average molar mass
- 423.9 g/mol
- Monoisotopic mass
- 423.1412776
Names & identifiers
- Preferred name
- (R)-3-[(S)-(2-chloro-3,6-difluorophenoxy)phenylmethyl]pyrrolidine-1-carboxylic acid t-butyl ester
- IUPAC
- tert-butyl (3R)-3-[(S)-(2-chloro-3,6-difluorophenoxy)-phenylmethyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL1156259WMXIEJLPSIHWSI-DNVCBOLYSA-N(R)-3-[(S)-(2-chloro-3,6-difluorophenoxy)phenylmethyl]pyrrolidine-1-carboxylic acid t-butyl ester
Database identifiers
- PubChem CID
- 66924701
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 553
Related reactions
3 records
Compound notes
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