Basic information
- Standard SMILES
COC(=O)Cc1ccc(OS(=O)(=O)C(F)(F)F)c(C(F)(F)F)c1- InChIKey
CJJKSYGAUGRXKF-UHFFFAOYSA-N- Molecular formula
- C11H8F6O5S
- Average molar mass
- 366.24 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(3-(trifluoromethyl)-4-(trifluoromethylsulfonyloxy)phenyl)acetate
- IUPAC
- methyl 2-[3-(trifluoromethyl)-4-(trifluoromethylsulfonyloxy)phenyl]acetate
Names & synonyms
methyl 2-(3-(trifluoromethyl)-4-(trifluoromethylsulfonyloxy)phenyl)acetateSCHEMBL2124578
Database identifiers
- PubChem CID
- 59627665
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 520
Related reactions
1 records
Compound notes
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