Basic information
- Standard SMILES
C[C@@H](N)C(=O)N1CC[C@H](F)C1.O=C(O)C(F)(F)F- InChIKey
FLNUDVSCOSBNIP-IBTYICNHSA-N- Molecular formula
- C9H14F4N2O3
- Average molar mass
- 274.21 g/mol
- Monoisotopic mass
- 274.09405496
Names & identifiers
- Preferred name
- (R)-2-amino-1-((S)-3-fluoro-pyrrolidin-1-yl)-propan-1-one trifluoroacetate
- IUPAC
- (2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
Names & synonyms
(R)-2-amino-1-((S)-3-fluoro-pyrrolidin-1-yl)-propan-1-one trifluoroacetateSCHEMBL14738316(R)-2-amino-1-((S)-3-fluoropyrrolidin-1-yl)-propan-1-one trifluoroacetate
Database identifiers
- PubChem CID
- 71280348
Properties
Computed structural properties
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 246
Related reactions
2 records
Compound notes
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