Methyl α-(Fluoromethyl)-L-Tyrosinate

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Properties Simple | Detailed

Formula C11H14FNO3
IUPAC Name methyl (2s)-2-amino-2-(fluoromethyl)-3-(4-hydroxyphenyl)propanoate
Molecular Mass 227.232 g·mol−1
Heat of Formation -663.5 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 270.65 Å 3
Surface Area 235.76 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-2-(fluoromethyl)-3-(4-hydroxyphenyl)propanoic acid methyl ester
  • (2s)-2-amino-2-(fluoromethyl)-3-(4-hydroxyphenyl)propionic acid methyl ester
  • alpha-monofluoromethyl-4-tyrosine methyl ester
  • amfmtme
  • methyl alpha-fluoromethyl-4-tyrosine
CAS Number(s)
  • 81363-78-2
InChIKey AAHSQPDAYLVAQN-LLVKDONJSA-N
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