Basic information
- Standard SMILES
CC(C)(C)[C@@H](N)C(=O)N1CCC(F)(C#N)C1.O=C(O)C(F)(F)F- InChIKey
SKBPLZHMJXMJHL-DTBGRZLTSA-N- Molecular formula
- C13H19F4N3O3
- Average molar mass
- 341.3 g/mol
- Monoisotopic mass
- 341.13625412
Names & identifiers
- Preferred name
- 1-((R)-2-amino-3,3-dimethylbutanoyl)-3-fluoropyrrolidine-3-carbonitrile trifluoroacetate
- IUPAC
- 1-[(2R)-2-amino-3,3-dimethylbutanoyl]-3-fluoropyrrolidine-3-carbonitrile;2,2,2-trifluoroacetic acid
Names & synonyms
1-((R)-2-amino-3,3-dimethylbutanoyl)-3-fluoropyrrolidine-3-carbonitrile trifluoroacetateSCHEMBL2378686
Database identifiers
- PubChem CID
- 67386183
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 424
Related reactions
2 records
Compound notes
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