Basic information
- Standard SMILES
O=C(O)C1CC(OCC(F)F)CN1C(=O)OCc1ccccc1- InChIKey
XHXKDDAVPLLUKP-UHFFFAOYSA-N- Molecular formula
- C15H17F2NO5
- Average molar mass
- 329.3 g/mol
Names & identifiers
- Preferred name
- 4-(2,2-Difluoroethoxy)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
- IUPAC
- 4-(2,2-difluoroethoxy)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
Names & synonyms
SCHEMBL3647784
Database identifiers
- PubChem CID
- 72298644
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 415
Related reactions
2 records
Compound notes
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