Basic information
- Standard SMILES
O=C(O)c1cccc(COc2ccc(-c3cc(F)c(F)c4ccoc34)cc2F)c1- InChIKey
RBNTXQAKDLDJEK-UHFFFAOYSA-N- Molecular formula
- C22H13F3O4
- Average molar mass
- 398.3 g/mol
Names & identifiers
- Preferred name
- 3-{[4-(4,5-Difluorobenzofuran-7-yl)-2-fluoro-phenoxy]methyl}benzoic acid
- IUPAC
- 3-[[4-(4,5-difluoro-1-benzofuran-7-yl)-2-fluorophenoxy]methyl]benzoic acid
Names & synonyms
SCHEMBL16005091RBNTXQAKDLDJEK-UHFFFAOYSA-N3-{[4-(4,5-difluorobenzofuran-7-yl)-2-fluoro-phenoxy]methyl}benzoic acid
Database identifiers
- PubChem CID
- 90384385
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 576
Related reactions
1 records
Compound notes
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