Basic information
- Standard SMILES
O=C1OC(=Cc2c(F)c(F)c(F)c(F)c2F)c2c(F)c(O)c(F)c(F)c21- InChIKey
SFDYEERKMNISHJ-UHFFFAOYSA-N- Molecular formula
- C15H2F8O3
- Average molar mass
- 382.16 g/mol
- Monoisotopic mass
- 381.98761922
Names & identifiers
- Preferred name
- 5-Hydroxy-4,6,7-trifluoro-3-(pentafluorobenzylidene)phthalide
- IUPAC
- 4,6,7-trifluoro-5-hydroxy-3-[(2,3,4,5,6-pentafluorophenyl)methylidene]-2-benzofuran-1-one
Names & synonyms
SCHEMBL9861644SFDYEERKMNISHJ-UHFFFAOYSA-N5-hydroxy-4,6,7-trifluoro-3-(pentafluorobenzylidene)phthalide
Database identifiers
- PubChem CID
- 73675640
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 587
Related reactions
1 records
Compound notes
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