2-Fenfluramine (S-isomer)
Basic information
- CAS
158964-26-2- Standard SMILES
CCN[C@@H](C)Cc1ccccc1C(F)(F)F- InChIKey
LKXHYVPQOWESNG-VIFPVBQESA-N- Molecular formula
- C12H16F3N
- Average molar mass
- 231.26 g/mol
- Monoisotopic mass
- 231.123484
Names & identifiers
- Preferred name
- 2-Fenfluramine (S-isomer)
- IUPAC
- (2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
Names & synonyms
P6YBS74UXY2-Fenfluramine (S-isomer)(S)-N-Ethyl-alpha-methyl-2-(trifluoromethyl)benzeneethanamineBenzeneethanamine, N-ethyl-alpha-methyl-2-(trifluoromethyl)-, (S)-N-Ethyl-alpha-methyl-2-(trifluoromethyl)benzeneethanamine, (S)-158964-26-2
Database identifiers
- CAS
158964-26-2- PubChem CID
- 95029864
- UNII
- P6YBS74UXY
- Nikkaji
- J722.000F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 203
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Related reactions
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Compound notes
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