Basic information
- Standard SMILES
CCCCc1ccc(C(F)=C(F)c2ccc(C#N)c(F)c2)cc1- InChIKey
UMWSUIIPPHQWGH-UHFFFAOYSA-N- Molecular formula
- C19H16F3N
- Average molar mass
- 315.3 g/mol
- Monoisotopic mass
- 315.123484
Names & identifiers
- Preferred name
- 4PFCPdFV
- IUPAC
- 4-[2-(4-butylphenyl)-1,2-difluoroethenyl]-2-fluorobenzonitrile
Names & synonyms
4PFCPdFVDTXSID7013820044-(2-(4-butylphenyl)-1,2-difluorovinyl)-2-fluorobenzonitrile4-[2-(4-butylphenyl)-1,2-difluoroethenyl]-2-fluorobenzonitrile
Database identifiers
- PubChem CID
- 175685973
- DTXSID
DTXSID701382004
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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