3-[(1E)-3-Amino-1-Fluoro-1-Propen-2-Yl]Phenol

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Properties Simple | Detailed

Formula C9H10FNO
IUPAC Name 3-[(e)-1-(aminomethyl)-2-fluoro-vinyl]phenol
Molecular Mass 167.180 g·mol−1
Heat of Formation -217.9 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 203.26 Å 3
Surface Area 198.42 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-beta-fluoromethylene-m-tyramine
  • 3-[(e)-1-(aminomethyl)-2-fluoro-vinyl]phenol
  • 3-[(e)-1-(aminomethyl)-2-fluorovinyl]phenol
  • 3-[(e)-3-amino-1-fluoro-prop-1-en-2-yl]phenol
  • 3-[(e)-3-amino-1-fluoroprop-1-en-2-yl]phenol
  • mdl 72392
  • mdl-72392
  • phenol, 3-(1-(aminomethyl)-2-fluoroethenyl)-, (e)-
CAS Number(s)
  • 85278-68-8
InChIKey XFDXQLJFMLWWJA-YVMONPNESA-N
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