PDB CCD ID: | 1OQ |
Number of entries in BioLiP: | 1 |
Chemical formula: | C14 H8 F4 N2 |
InChI: | InChI=1S/C14H8F4N2/c15-10-6-4-9(5-7-10)11(8-19)12-2-1-3-13(20-12)14(16,17)18/h1-7,11H/t11-/m0/s1 |
InChIKey: | DXQNDKQUHKVTTC-NSHDSACASA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.7.6 | c1cc(nc(c1)C(F)(F)F)[C@@H](C#N)c2ccc(cc2)F | CACTVS 3.370 | Fc1ccc(cc1)[C@H](C#N)c2cccc(n2)C(F)(F)F | OpenEye OEToolkits 1.7.6 | c1cc(nc(c1)C(F)(F)F)C(C#N)c2ccc(cc2)F | CACTVS 3.370 | Fc1ccc(cc1)[CH](C#N)c2cccc(n2)C(F)(F)F | ACDLabs 12.01 | FC(F)(F)c1nc(ccc1)C(C#N)c2ccc(F)cc2 |
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Name: | (2S)-(4-fluorophenyl)[6-(trifluoromethyl)pyridin-2-yl]ethanenitrile |
ZINC: | ZINC000095872307 |