α-(Difluoromethyl)-3-Hydroxy-L-Tyrosine

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Properties Simple | Detailed

Formula C10H11F2NO4
IUPAC Name (2s)-2-amino-2-[(3,4-dihydroxyphenyl)methyl]-3,3-difluoro-propanoic acid
Molecular Mass 247.195 g·mol−1
Heat of Formation -1062.2 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 263.0 Å 3
Surface Area 232.03 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-2-(3,4-dihydroxybenzyl)-3,3-difluoro-propionic acid
  • (2s)-2-amino-2-[(3,4-dihydroxyphenyl)methyl]-3,3-difluoro-propanoic acid
  • (2s)-2-amino-2-[(3,4-dihydroxyphenyl)methyl]-3,3-difluoropropanoic acid
  • alpha-(difluoromethyl)-3-hydroxytyrosine
  • alpha-difluoromethyl-3,4-dihydroxyphenylalanine
  • alpha-difluoromethyl-dopa
  • dfm-dopa
  • mdl 71,801
  • tyrosine, alpha-(difluoromethyl)-3-hydroxy-
CAS Number(s)
  • 69955-03-9
InChIKey XZVHHLNLLVICFA-SNVBAGLBSA-N
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