3-(Diethylamino)-2,2-Dimethylpropyl 5-[4-(Trifluoromethyl)Phenyl]-2-Furoate

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Properties Simple | Detailed

Formula C21H26F3NO3
IUPAC Name [3-(diethylamino)-2,2-dimethyl-propyl] 5-[4-(trifluoromethyl)phenyl]furan-2-carboxylate
Molecular Mass 397.431 g·mol−1
Heat of Formation -1062.7 ± 16.7 kJ·mol−1
Dipole Moment 0.44 ± 1.08 D
Volume 487.6 Å 3
Surface Area 394.64 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • (3-diethylamino-2,2-dimethyl-propyl) 5-[4-(trifluoromethyl)phenyl]furan-2-carboxylate
  • (3-diethylamino-2,2-dimethylpropyl) 5-[4-(trifluoromethyl)phenyl]furan-2-carboxylate
  • 2-furancarboxylic acid, 5-(4-(trifluoromethyl)phenyl)-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride
  • 3-diethylamino-2,2-dimethylpropyl 5-(4-trifluoromethylphenyl)-2-furoate
  • 5-[4-(trifluoromethyl)phenyl]-2-furancarboxylic acid (3-diethylamino-2,2-dimethylpropyl) ester
  • 5-[4-(trifluoromethyl)phenyl]furan-2-carboxylic acid (3-diethylamino-2,2-dimethyl-propyl) ester
  • f 721
  • f-721
CAS Number(s)
  • 73269-30-4
InChIKey YPMWMLWNPZVQGL-UHFFFAOYSA-N
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