Basic information
- Standard SMILES
CCSC[C@H](Oc1cccc(Cl)c1C(F)(F)F)[C@H]1CCNC1- InChIKey
FRACFGWFMYKHLS-GWCFXTLKSA-N- Molecular formula
- C15H19ClF3NOS
- Average molar mass
- 353.8 g/mol
Names & identifiers
- Preferred name
- (S)-3-[(R)-1-(3-Chloro-2-trifluoromethylphenoxy)-2-ethylsulfanylethyl]-pyrrolidine
- IUPAC
- (3S)-3-[(1R)-1-[3-chloro-2-(trifluoromethyl)phenoxy]-2-ethylsulfanylethyl]pyrrolidine
Names & synonyms
(S)-3-[(R)-1-(3-Chloro-2-trifluoromethylphenoxy)-2-ethylsulfanylethyl]-pyrrolidineSCHEMBL963082
Database identifiers
- PubChem CID
- 50899714
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 345
Related reactions
3 records
Compound notes
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