Basic information
- Standard SMILES
C[C@H](Cc1ccccn1)NC(=O)O.O=C(O)C(F)(F)F- InChIKey
CFASJYIYVKHPLW-OGFXRTJISA-N- Molecular formula
- C11H13F3N2O4
- Average molar mass
- 294.23 g/mol
Names & identifiers
- Preferred name
- [1(R) Methyl-2-(pyridin-2-yl)ethyl]carbamic acid trifluoroacetate
- IUPAC
- [(2R)-1-pyridin-2-ylpropan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid
Names & synonyms
[1(R) Methyl-2-(pyridin-2-yl)ethyl]carbamic acid trifluoroacetate
Database identifiers
- PubChem CID
- 86754265
Properties
Computed structural properties
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 256
Related reactions
2 records
Compound notes
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