4-{2-[(2,2,2-Trifluoroethyl)Amino]Ethyl}-1,2-Benzenediol

Molecule SVG Image

Properties Simple | Detailed

Formula C10H12F3NO2
IUPAC Name 4-[2-(2,2,2-trifluoroethylamino)ethyl]benzene-1,2-diol
Molecular Mass 235.203 g·mol−1
Heat of Formation -957.5 ± 16.7 kJ·mol−1
Dipole Moment 5.32 ± 1.08 D
Volume 259.0 Å 3
Surface Area 252.15 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-benzenediol, 4-(2-((2,2,2-trifluoroethyl)amino)ethyl)-
  • 4-[2-(2,2,2-trifluoroethylamino)ethyl]pyrocatechol
CAS Number(s)
  • 82871-92-9
InChIKey ZRTODHMSYNCMQW-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F