Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC[C@H]([C@@H](CO)Oc2ccc(C(F)(F)F)cc2)C1- InChIKey
JTWGALNFWRJGPD-SWLSCSKDSA-N- Molecular formula
- C18H24F3NO4
- Average molar mass
- 375.4 g/mol
Names & identifiers
- Preferred name
- (S)-3-[(S)-2-Hydroxy-1-(4-trifluoromethylphenoxy)ethyl]pyrrolidine-1-carboxylic Acid t-Butyl Ester
- IUPAC
- tert-butyl (3S)-3-[(1S)-2-hydroxy-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-1-carboxylate
Names & synonyms
(S)-3-[(S)-2-Hydroxy-1-(4-trifluoromethylphenoxy)ethyl]pyrrolidine-1-carboxylic Acid t-Butyl EsterSCHEMBL9108211
Database identifiers
- PubChem CID
- 67775980
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 470
Related reactions
2 records
Compound notes
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