Basic information
- Standard SMILES
FC(F)(F)Sc1ccc(COCc2ccc(SC(F)(F)F)cc2)cc1- InChIKey
XJWOEGMPXJAQLA-UHFFFAOYSA-N- Molecular formula
- C16H12F6OS2
- Average molar mass
- 398.4 g/mol
- Monoisotopic mass
- 398.02337632
Names & identifiers
- Preferred name
- Bis(4-trifluoromethylthiobenzyl)ether
- IUPAC
- 1-(trifluoromethylsulfanyl)-4-[[4-(trifluoromethylsulfanyl)phenyl]methoxymethyl]benzene
Names & synonyms
bis(4-trifluoromethylthiobenzyl)etherSCHEMBL6002206bis(4-trifluoromethylthiobenzyl) ether
Database identifiers
- PubChem CID
- 12112481
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 349
Related reactions
2 records
Compound notes
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