Methyl 4-[2-[2-(4-cyanophenyl)ethyl]-4-[2-(5,5,5-trifluoropentoxy)phenyl]but-3-enyl]benzoate

HCID 68660740
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Basic information

Standard SMILES
COC(=O)c1ccc(CC(C=Cc2ccccc2OCCCCC(F)(F)F)CCc2ccc(C#N)cc2)cc1
InChIKey
JYQWGABIOWQIKN-UHFFFAOYSA-N
Molecular formula
C32H32F3NO3
Average molar mass
535.6 g/mol

Names & identifiers

Preferred name
Methyl 4-[2-[2-(4-cyanophenyl)ethyl]-4-[2-(5,5,5-trifluoropentoxy)phenyl]but-3-enyl]benzoate
IUPAC
methyl 4-[2-[2-(4-cyanophenyl)ethyl]-4-[2-(5,5,5-trifluoropentoxy)phenyl]but-3-enyl]benzoate

Names & synonyms

SCHEMBL3484611

Database identifiers

PubChem CID
68660740

Properties

Computed structural properties

XLogP
8.8
Topological polar surface area
59.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
14
Heavy atoms
39

Related reactions

1 records
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Compound notes

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