Basic information
- Standard SMILES
Cc1cc(C(=O)/C=C(\c2cc(Cl)cc(Cl)c2)C(F)(F)F)ccc1C(=O)OC(C)(C)C- InChIKey
CPUWAEFMIXEQKQ-WOJGMQOQSA-N- Molecular formula
- C22H19Cl2F3O3
- Average molar mass
- 459.3 g/mol
- Monoisotopic mass
- 458.0663343
Names & identifiers
- Preferred name
- 4-[(E)-3-(3,5-Dichloro-phenyl)-4,4,4-trifluoro-but-2-enoyl]-2-methyl-benzoic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-2-enoyl]-2-methylbenzoate
Names & synonyms
4-[(E)-3-(3,5-Dichloro-phenyl)-4,4,4-trifluoro-but-2-enoyl]-2-methyl-benzoic acid tert-butyl esterSCHEMBL14785295tert-butyl 4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-but-2-enoyl]-2-methyl-benzoate
Database identifiers
- PubChem CID
- 86695992
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 660
Related reactions
13 records
Compound notes
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