rac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-methyl-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid trifluoroacetic acid
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Cc1cc(Cl)ccc1C1(C#N)C(CC(C)(C)C)NC(C(=O)O)C1c1cccc(Cl)c1F.O=C(O)C(F)(F)F- InChIKey
ROKFAGWZQPCLJM-UHFFFAOYSA-N- Molecular formula
- C26H26Cl2F4N2O4
- Average molar mass
- 577.4 g/mol
Names & identifiers
- Preferred name
- rac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-methyl-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid trifluoroacetic acid
- IUPAC
- 3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
Names & synonyms
rac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-methyl-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid trifluoroacetic acidSCHEMBL2152253
Database identifiers
- PubChem CID
- 86640323
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 804
Related reactions
2 records
Compound notes
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