Basic information
- Standard SMILES
COC(=O)/C=C/c1ccc(OS(=O)(=O)C(F)(F)F)c(F)c1- InChIKey
ABKIULYQQKPHTO-HWKANZROSA-N- Molecular formula
- C11H8F4O5S
- Average molar mass
- 328.24 g/mol
Names & identifiers
- Preferred name
- methyl(E)-3-(3-fluoro-4-trifluoromethanesulfonyloxyphenyl)acrylate
- IUPAC
- methyl (E)-3-[3-fluoro-4-(trifluoromethylsulfonyloxy)phenyl]prop-2-enoate
Names & synonyms
methyl(E)-3-(3-fluoro-4-trifluoromethanesulfonyloxyphenyl)acrylateSCHEMBL2085644methyl (E)-3-(3-fluoro-4-trifluoromethanesulfonyloxyphenyl)acrylate
Database identifiers
- PubChem CID
- 86614973
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 494
Related reactions
2 records
Compound notes
Loading…