Basic information
- Standard SMILES
CCCCCc1ccc(C(F)=C(F)c2ccc(C#N)c(F)c2)cc1- InChIKey
REXTVYUPQDNPHC-UHFFFAOYSA-N- Molecular formula
- C20H18F3N
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.13913406
Names & identifiers
- Preferred name
- 5PFCPdFV
- IUPAC
- 4-[1,2-difluoro-2-(4-pentylphenyl)ethenyl]-2-fluorobenzonitrile
Names & synonyms
5PFCPdFVDTXSID4013820054-(1,2-difluoro-2-(4-pentylphenyl)vinyl)-2-fluorobenzonitrile4-[1,2-difluoro-2-(4-pentylphenyl)ethenyl]-2-fluorobenzonitrile
Database identifiers
- PubChem CID
- 175685791
- DTXSID
DTXSID401382005
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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