(2E)-3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acrylonitrile

HCID 67775546
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Basic information

Standard SMILES
Cc1ccc(/C=C(/C#N)c2cccc(F)c2)cc1C
InChIKey
ZBQMZZJKUVLJGC-SXGWCWSVSA-N
Molecular formula
C17H14FN
Average molar mass
251.3 g/mol

Names & identifiers

Preferred name
(2E)-3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acrylonitrile
IUPAC
(E)-3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)prop-2-enenitrile

Names & synonyms

SCHEMBL9107324ZBQMZZJKUVLJGC-SXGWCWSVSA-N(2E)-3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acrylonitrile

Database identifiers

PubChem CID
67775546

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
19

Related reactions

4 records
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Compound notes

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