Basic information
- Standard SMILES
CC(C)(C)CC1CNC(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F- InChIKey
MCSPHTPNQWIYOV-UHFFFAOYSA-N- Molecular formula
- C22H22Cl2F2N2
- Average molar mass
- 423.3 g/mol
Names & identifiers
- Preferred name
- rac-(2S,3S,4S)-2-(3-chloro-2-fluoro-phenyl)-3-(4-chloro-2-fluoro-phenyl)-4-(2,2-dimethyl-propyl)-pyrrolidine-3-carbonitrile
- IUPAC
- 2-(3-chloro-2-fluorophenyl)-3-(4-chloro-2-fluorophenyl)-4-(2,2-dimethylpropyl)pyrrolidine-3-carbonitrile
Names & synonyms
SCHEMBL1613664MCSPHTPNQWIYOV-UHFFFAOYSA-Nrac (2S,3S,4S)-2-(3-chloro-2-fluoro-phenyl)-3-(4-chloro-2-fluoro-phenyl)-4-(2,2-dimethyl-propyl)-pyrrolidine-3-carbonitrilerac-(2S,3S,4S)-2-(3-chloro-2-fluoro-phenyl)-3-(4-chloro-2-fluoro-phenyl)-4-(2,2-dimethyl-propyl)-pyrrolidine-3-carbonitrile
Database identifiers
- PubChem CID
- 67095372
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 601
Related reactions
60 records
Compound notes
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