Basic information
- Standard SMILES
O=C(O)C(F)(F)F.OC[C@@H]1C[C@@H](O)CN1- InChIKey
XBFBOFLWOYMVSX-UYXJWNHNSA-N- Molecular formula
- C7H12F3NO4
- Average molar mass
- 231.17 g/mol
Names & identifiers
- Preferred name
- (3R,5S)-5-hydroxymethyl-pyrrolidin-3-ol trifluoroacetate
- IUPAC
- (3R,5S)-5-(hydroxymethyl)pyrrolidin-3-ol;2,2,2-trifluoroacetic acid
Names & synonyms
(3R,5S)-5-hydroxymethyl-pyrrolidin-3-ol trifluoroacetateSCHEMBL588700
Database identifiers
- PubChem CID
- 66735651
Properties
Computed structural properties
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 160
Related reactions
3 records
Compound notes
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