Basic information
- Standard SMILES
C[C@@H](N)c1ccc(C(F)(F)F)[n+]([O-])c1- InChIKey
GKLWFYBSHLJBLR-RXMQYKEDSA-N- Molecular formula
- C8H9F3N2O
- Average molar mass
- 206.16 g/mol
Names & identifiers
- Preferred name
- (1R)-1-[1-oxido-6-(trifluoromethyl)pyridin-3-yl]ethanamine
- IUPAC
- (1R)-1-[1-oxido-6-(trifluoromethyl)pyridin-1-ium-3-yl]ethanamine
Names & synonyms
(1R)-1-[1-oxido-6-(trifluoromethyl)pyridin-3-yl]ethanamineSCHEMBL346566GKLWFYBSHLJBLR-RXMQYKEDSA-NWEZKLAXQCFHDJF-RXMQYKEDSA-N
Database identifiers
- PubChem CID
- 59539683
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Related reactions
10 records
Compound notes
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