Basic information
- Standard SMILES
COC(=O)C1CC(C(=O)OC(C)(C)C)NC1c1ccccc1F- InChIKey
JIAREAPJLNYTHE-UHFFFAOYSA-N- Molecular formula
- C17H22FNO4
- Average molar mass
- 323.4 g/mol
Names & identifiers
- Preferred name
- 2-O-tert-butyl 4-O-methyl 5-(2-fluorophenyl)pyrrolidine-2,4-dicarboxylate
- IUPAC
- 2-O-tert-butyl 4-O-methyl 5-(2-fluorophenyl)pyrrolidine-2,4-dicarboxylate
Names & synonyms
SCHEMBL8668363
Database identifiers
- PubChem CID
- 67656797
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 448
Related reactions
4 records
Compound notes
Loading…