Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC[C@@H](CS(=O)Cc2ccc(F)cc2)C1- InChIKey
YKWIKFSMJYPYFJ-PDNQZYNLSA-N- Molecular formula
- C17H24FNO3S
- Average molar mass
- 341.4 g/mol
Names & identifiers
- Preferred name
- (3R)-1-(tert-Butoxycarbonyl)-3-[(4-fluorobenzylsulfinyl)methyl]pyrrolidine
- IUPAC
- tert-butyl (3R)-3-[(4-fluorophenyl)methylsulfinylmethyl]pyrrolidine-1-carboxylate
Names & synonyms
(3R)-1-(tert-Butoxycarbonyl)-3-[(4-fluorobenzylsulfinyl)methyl]pyrrolidine(3R)-1-(tert-butoxycarbonyl)-3-[(4-fluorobenzylsulfinyl)methyl}pyrrolidineSCHEMBL8647537YKWIKFSMJYPYFJ-PDNQZYNLSA-N
Database identifiers
- PubChem CID
- 54513640
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 430
Related reactions
2 records
Compound notes
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