1-(2-{Bis[4-(Trifluoromethyl)Phenyl]Methoxy}Ethyl)-1,2,5,6-Tetrahydro-3-Pyridinecarboxylic Acid

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Properties Simple | Detailed

Formula C23H21F6NO3
IUPAC Name (1s)-1-[2-[bis[4-(trifluoromethyl)phenyl]methoxy]ethyl]-3,6-dihydro-2h-pyridine-5-carboxylic acid
Molecular Mass 473.408 g·mol−1
Heat of Formation -1625.7 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 513.57 Å 3
Surface Area 446.16 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-(bis(4-(trifluoromethyl)phenyl)methox)ethyl)-1,2,5,6-tetrahydro-3-pyrdinecarboxylic acid
  • 1-[2-[bis[4-(trifluoromethyl)phenyl]methoxy]ethyl]-5,6-dihydro-2h-pyridine-3-carboxylic acid
  • 3-pyridinecarboxylic acid, 1-(2-(bis(4-(trifluoromethyl)phenyl)methoxy)ethyl)-1,2,5,6-tetrahydro-
CAS Number(s)
  • 110283-79-9
InChIKey CMHQDSBIBSKHFP-UHFFFAOYSA-N
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