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The molecular formula is C10H10F3NO2.
The molecular weight is 233.19 g/mol.
The IUPAC name is (3S)-3-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid.
The InChI is InChI=1S/C10H10F3NO2/c11-10(12,13)7-4-2-1-3-6(7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1.
The InChIKey is MXKROQQTKYAUJB-QMMMGPOBSA-N.
The canonical SMILES is C1=CC=C(C(=C1)C(CC(=O)O)N)C(F)(F)F.
The isomeric SMILES is C1=CC=C(C(=C1)[C@H](CC(=O)O)N)C(F)(F)F.
The XLogP3-AA value is -1.1.
There are 2 hydrogen bond donor counts.
There are 6 hydrogen bond acceptor counts.
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