4-[(E)-3-(3,5-Dichloro-phenyl)-4,4,4-trifluoro-but-2-enoyl]-2-methyl-benzoic acid tert-butyl ester

HCID 86695992

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

Related reactions

13 records

Compound notes

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