(Z)-2-(3,5-bis(trifluoromethyl)phenyl)but-2-enenitrile | SBID = 2404 | Compound | Custom Molecule

Struc Structure

Download Image Download CDX

Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 23.79
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 4.21
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C12H7F6N
M / g/mol: 279.1810992
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: (Z)-2-(3,5-bis(trifluoromethyl)phenyl)but-2-enenitrile
  • Preferred Abbreviation: (Z)-2-(3,5-bis(trifluoromethyl)phenyl)but-2-enenitrile
  • IUPAC Name:
  • CAS:
  • CID: -1006
  • InChiKey: JUXIGXPBHVJESS-UHFFFAOYSA-N
  • InChi: InChI=1S/C12H7F6N/c1-2-7(6-19)8-3-9(11(13,14)15)5-10(4-8)12(16,17)18/h2-5H,1H3
  • CanoSmiles: C/C=C(/c1cc(cc(c1)C(F)(F)F)C(F)(F)F)\C#N
  • IsoSmiles: C/C=C(C#N)/C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1