Basic information
- Standard SMILES
CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(OS(=O)(=O)C(F)(F)F)c(F)c12- InChIKey
WIBLDHMQTYDWJD-UHFFFAOYSA-N- Molecular formula
- C17H10F5NO5S
- Average molar mass
- 435.3 g/mol
Names & identifiers
- Preferred name
- 4-Fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)benzofuran-5-yl trifluoromethanesulfonate
- IUPAC
- [4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl] trifluoromethanesulfonate
Names & synonyms
4-Fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)benzofuran-5-yl trifluoromethanesulfonateSCHEMBL1918302
Database identifiers
- PubChem CID
- 86640862
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 704
Related reactions
11 records
Compound notes
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