Basic information
- Standard SMILES
CCCNCCOc1c(Cl)cc(SCC(F)(F)F)cc1Cl- InChIKey
SVPSHJYWRLYEJE-UHFFFAOYSA-N- Molecular formula
- C13H16Cl2F3NOS
- Average molar mass
- 362.2 g/mol
Names & identifiers
- Preferred name
- N-{2-[2,6-dichloro-4-(2,2,2-trifluoroethylthio)-phenoxy]-ethyl}-N-(propyl)-amine
- IUPAC
- N-[2-[2,6-dichloro-4-(2,2,2-trifluoroethylsulfanyl)phenoxy]ethyl]propan-1-amine
Names & synonyms
N-{2-[2,6-dichloro-4-(2,2,2-trifluoroethylthio)-phenoxy]-ethyl}-N-(propyl)-amineSCHEMBL10801332N-{2-[2,6-dichloro-4-(2,2,2-trifluoroethylthio)-phenoxy]-ethyl}-N-(propyl)amine
Database identifiers
- PubChem CID
- 13672176
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 285
Related reactions
3 records
Compound notes
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