Basic information
- Standard SMILES
COC(=O)C1(c2cc(F)c(OS(=O)(=O)C(F)(F)F)c(F)c2)CC1- InChIKey
TZHIIBAVQINBAQ-UHFFFAOYSA-N- Molecular formula
- C12H9F5O5S
- Average molar mass
- 360.26 g/mol
Names & identifiers
- Preferred name
- Methyl 1-(3,5-difluoro-4-(trifluoromethylsulfonyloxy)phenyl)cyclopropanecarboxylate
- IUPAC
- methyl 1-[3,5-difluoro-4-(trifluoromethylsulfonyloxy)phenyl]cyclopropane-1-carboxylate
Names & synonyms
methyl 1-(3,5-difluoro-4-(trifluoromethylsulfonyloxy)phenyl)cyclopropanecarboxylateSCHEMBL2126275
Database identifiers
- PubChem CID
- 59627712
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 553
Related reactions
2 records
Compound notes
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