1(2H)-Pyridinepropanenitrile, 3,6-Dihydro-4-(3-(Trifluoromethyl)Phenyl)-

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Properties Simple | Detailed

Formula C15H15F3N2
IUPAC Name 3-[(1r)-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2h-pyridin-1-yl]propanenitrile
Molecular Mass 280.288 g·mol−1
Heat of Formation -411.0 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 327.98 Å 3
Surface Area 303.77 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2h-pyridin-1-yl]propanenitrile
  • 3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2h-pyridin-1-yl]propionitrile
  • 4-(3-trifluoromethylphenyl)-1-(2-cyanoethyl)-1,2,3,6-tetrahydropyridine hcl
  • cm 57493
  • cm-57493
CAS Number(s)
  • 84226-38-0
InChIKey XVBCZSYHUGVSIB-UHFFFAOYSA-N
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Elements H C N F