PDB CCD ID: | 9NL |
Number of entries in BioLiP: | 1 |
Chemical formula: | C9 H8 F2 O3 |
InChI: | InChI=1S/C9H8F2O3/c10-9(11,7(12)8(13)14)6-4-2-1-3-5-6/h1-5,7,12H,(H,13,14)/t7-/m1/s1 |
InChIKey: | JCELIJYTLDZTOR-SSDOTTSWSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | O[CH](C(O)=O)C(F)(F)c1ccccc1 | ACDLabs 12.01 | OC(=O)C(C(c1ccccc1)(F)F)O | CACTVS 3.385 | O[C@H](C(O)=O)C(F)(F)c1ccccc1 | OpenEye OEToolkits 2.0.6 | c1ccc(cc1)C([C@@H](C(=O)O)O)(F)F | OpenEye OEToolkits 2.0.6 | c1ccc(cc1)C(C(C(=O)O)O)(F)F |
|
Name: | (2R)-3,3-difluoro-2-hydroxy-3-phenylpropanoic acid |
ZINC: | ZINC000002386506 |