Basic information
- Standard SMILES
O=C(O)c1cc(C(=O)C(F)(F)F)cc2c1OC(c1ccccc1)(c1ccccc1)O2- InChIKey
CTAZMAZRIHFTGS-UHFFFAOYSA-N- Molecular formula
- C22H13F3O5
- Average molar mass
- 414.3 g/mol
Names & identifiers
- Preferred name
- 2,2-Diphenyl-6-(trifluoroacetyl)-1,3-benzodioxole-4-carboxylic acid
- IUPAC
- 2,2-diphenyl-6-(2,2,2-trifluoroacetyl)-1,3-benzodioxole-4-carboxylic acid
Names & synonyms
2,2-Diphenyl-6-(trifluoroacetyl)-1,3-benzodioxole-4-carboxylic acidSCHEMBL4866013
Database identifiers
- PubChem CID
- 59643003
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 634
Related reactions
2 records
Compound notes
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