Basic information
- Standard SMILES
CC(C)(COC(=O)C(OCc1ccc(-c2ccc(Cl)cc2)cc1)(C(F)(F)F)C(F)(F)F)Oc1ccc(Cl)cc1- InChIKey
BRLMSXXNAUDSOW-UHFFFAOYSA-N- Molecular formula
- C27H22Cl2F6O4
- Average molar mass
- 595.4 g/mol
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyloxy)-2-methylpropyl 2-[4-(4-chlorophenyl)benzyloxy]-3,3,3-trifluoro-2-trifluoromethylpropionate
- IUPAC
- [2-(4-chlorophenoxy)-2-methylpropyl] 2-[[4-(4-chlorophenyl)phenyl]methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propanoate
Names & synonyms
2-(4-chlorophenyloxy)-2-methylpropyl 2-[4-(4-chlorophenyl)benzyloxy]-3,3,3-trifluoro-2-trifluoromethylpropionateSCHEMBL116615982-(4-chlorophenyloxy)-2-methylpropyl 2-[4-(4-chlorophenyl)-benzyloxy]-3,3,3-trifluoro-2-trifluoromethylpropionate
Database identifiers
- PubChem CID
- 53697295
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 768
Related reactions
3 records
Compound notes
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