Basic information
- Standard SMILES
CN1C[C@@H](C(=O)O)[C@H](c2ccc(F)cc2F)C1- InChIKey
NNYAWTJAAXJTQP-VHSXEESVSA-N- Molecular formula
- C12H13F2NO2
- Average molar mass
- 241.23 g/mol
Names & identifiers
- Preferred name
- (3S,4R)-4-(2,4-difluorophenyl)-1-methylpyrrolidine-3-carboxylic acid
- IUPAC
- (3S,4R)-4-(2,4-difluorophenyl)-1-methylpyrrolidine-3-carboxylic acid
Names & synonyms
(3S,4R)-4-(2,4-difluorophenyl)-1-methylpyrrolidine-3-carboxylic acid862284-30-8SCHEMBL1920280NNYAWTJAAXJTQP-VHSXEESVSA-N
Database identifiers
- PubChem CID
- 59131007
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
Related reactions
1 records
Compound notes
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