Basic information
- CAS
668470-56-2- Standard SMILES
FC(F)(F)c1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1- InChIKey
ZJJXUEPWFIWWJV-RDJZCZTQSA-N- Molecular formula
- C18H18F3NOS
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.10611986
Names & identifiers
- Preferred name
- (2S)-2-((S)-Phenyl{[2-(trifluoromethyl)phenyl]thio}methyl)morpholine
- IUPAC
- (2S)-2-[(S)-phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine
Names & synonyms
(2S)-2-((S)-Phenyl{[2-(trifluoromethyl)phenyl]thio}methyl)morpholine668470-56-2SCHEMBL4653871DTXSID50430914(2S)-2-[(S)-Phenyl{[2-(trifluoromethyl)phenyl]sulfanyl}methyl]morpholine
Database identifiers
- CAS
668470-56-2- PubChem CID
- 9798640
- DTXSID
DTXSID50430914
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 387
Related reactions
1 records
Compound notes
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