Basic information
- CAS
893407-15-3- Standard SMILES
CSc1ccc(-c2ccc(C(=O)C(F)(F)F)cc2)cc1- InChIKey
RDBJQDMMWXAZRS-UHFFFAOYSA-N- Molecular formula
- C15H11F3OS
- Average molar mass
- 296.31 g/mol
- Monoisotopic mass
- 296.04827063
Names & identifiers
- Preferred name
- 2,2,2-Trifluoro-1-(4'-methylsulfanyl-biphenyl-4-yl)-ethanone
- IUPAC
- 2,2,2-trifluoro-1-[4-(4-methylsulfanylphenyl)phenyl]ethanone
Names & synonyms
2,2,2-trifluoro-1-(4'-methylsulfanyl-biphenyl-4-yl)-ethanone893407-15-3SCHEMBL22733910DTXSID70470539RDBJQDMMWXAZRS-UHFFFAOYSA-N2,2,2-trifluoro-1-[4-(4-methylsulfanylphenyl)phenyl]ethanone2,2,2-Trifluoro-1-[4'-(methylsulfanyl)[1,1'-biphenyl]-4-yl]ethan-1-one
Database identifiers
- CAS
893407-15-3- PubChem CID
- 11680923
- DTXSID
DTXSID70470539- Nikkaji
- J2.316.931B
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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