Basic information
- Standard SMILES
CCCCCc1ccc(C(F)=C(F)c2ccc(C#N)cc2)cc1- InChIKey
PKAAERRHELBJGM-UHFFFAOYSA-N- Molecular formula
- C20H19F2N
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.14855593
Names & identifiers
- Preferred name
- 5PCPdFV
- IUPAC
- 4-[1,2-difluoro-2-(4-pentylphenyl)ethenyl]benzonitrile
Names & synonyms
5PCPdFVDTXSID4013819144-(1,2-difluoro-2-(4-pentylphenyl)vinyl)benzonitrile4-[1,2-difluoro-2-(4-pentylphenyl)ethenyl]benzonitrile
Database identifiers
- PubChem CID
- 175685667
- DTXSID
DTXSID401381914
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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