7-Chloro-5-(2-Fluorophenyl)-1-(2,2,2-Trifluoroethyl)-1,3-Dihydro-2H-1,4-Benzodiazepin-2-One

Molecule SVG Image

Properties Simple | Detailed

Formula C17H11ClF4N2O
IUPAC Name 7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-3h-1,4-benzodiazepin-2-one
Molecular Mass 370.729 g·mol−1
Heat of Formation -758.5 ± 16.7 kJ·mol−1
Dipole Moment 3.59 ± 1.08 D
Volume 381.39 Å 3
Surface Area 314.91 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2,2,2-trifluoroethyl)-2h-1,4-benzodiazepin-2-one
  • 7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-3h-1,4-benzodiazepin-2-one
  • pdsp1_001779
  • pdsp2_001762
  • sch 15725
CAS Number(s)
  • 49606-44-2
InChIKey YFSXBSRGIRSXAD-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H Cl O N