Basic information
- Standard SMILES
O=C(O)C(Cc1ccc(Br)cc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1- InChIKey
QUWVAPXSMIDNDI-UHFFFAOYSA-N- Molecular formula
- C23H15BrF6O4
- Average molar mass
- 549.3 g/mol
- Monoisotopic mass
- 548.00579
Names & identifiers
- Preferred name
- 3-(4-Bromophenyl)-2,2-bis(3-(trifluoromethoxy)phenyl)propanoic acid
- IUPAC
- 3-(4-bromophenyl)-2,2-bis[3-(trifluoromethoxy)phenyl]propanoic acid
Names & synonyms
3-(4-bromophenyl)-2,2-bis(3-(trifluoromethoxy)phenyl)propanoic acidSCHEMBL759584
Database identifiers
- PubChem CID
- 59458464
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 641
Related reactions
10 records
Compound notes
Loading…