Basic information
- CAS
194222-97-4- Standard SMILES
O=S(=O)(Cc1ccc(C(F)(F)F)cc1)C(F)(F)F- InChIKey
FNBCUMHQBDQVGT-UHFFFAOYSA-N- Molecular formula
- C9H6F6O2S
- Average molar mass
- 292.2 g/mol
- Monoisotopic mass
- 291.99926958
Names & identifiers
- Preferred name
- 1-[(Trifluoromethanesulfonyl)methyl]-4-(trifluoromethyl)benzene
- IUPAC
- 1-(trifluoromethyl)-4-(trifluoromethylsulfonylmethyl)benzene
Names & synonyms
194222-97-41-[(Trifluoromethanesulfonyl)methyl]-4-(trifluoromethyl)benzeneSCHEMBL27533438DTXSID20571484FNBCUMHQBDQVGT-UHFFFAOYSA-N
Database identifiers
- CAS
194222-97-4- PubChem CID
- 15323596
- DTXSID
DTXSID20571484- Nikkaji
- J873.431C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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