5-Phenyl-2-(3-(trifluoromethyl)phenyl)-2,4-pentadienenitrile
Basic information
- CAS
657350-55-5- Standard SMILES
N#C/C(=C/C=C/c1ccccc1)c1cccc(C(F)(F)F)c1- InChIKey
GLRIWLGDETYRJY-MMPACVFLSA-N- Molecular formula
- C18H12F3N
- Average molar mass
- 299.3 g/mol
- Monoisotopic mass
- 299.09218387
Names & identifiers
- Preferred name
- 5-Phenyl-2-(3-(trifluoromethyl)phenyl)-2,4-pentadienenitrile
- IUPAC
- (2E,4E)-5-phenyl-2-[3-(trifluoromethyl)phenyl]penta-2,4-dienenitrile
- English name
- 5-Phenyl-2-(3-(trifluoromethyl)phenyl)-2,4-pentadienenitrile
- Molecular formula
- C18H12F3N
- Molecular weight
- 299.29
Names & synonyms
AKOS0244056465-PHENYL-2-(3-(TRIFLUOROMETHYL)PHENYL)-2,4-PENTADIENENITRILEBenzeneacetonitrile, α-(3-phenyl-2-propen-1-ylidene)-3-(trifluoromethyl)-
Database identifiers
- CAS
657350-55-5- PubChem CID
- 6286355
- EC Number
- 122-954-8
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 460
Physicochemical properties
- Boiling point
- 431.314 · 431.314±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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