3-(3,4-Dimethylphenyl)-2-(3-fluorophenyl)prop-2-enenitrile

HCID 67775551
Substructure searchFind similar structures

Basic information

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

Names & identifiers

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

Names & synonyms

SCHEMBL9107332

Database identifiers

PubChem CID
67775551

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

2 records
New reaction record

Linked notes

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