57375648 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 30 9 9 9 9 9 9 8 8 8 8 8 6 6 6 6 1 1 1 2 8 -1 9 -1 2 3 4 5 6 7 8 9 10 11 12 12 13 14 13 13 13 14 14 14 15 16 15 16 17 18 15 16 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 3.4641 6.9282 6.5622 5.5622 0 0.366 1.366 4.3301 2.5981 5.1962 1.732 3.4641 6.0622 0.866 5.1962 1.732 4.001 2.9272 1.366 0.366 1.732 0 0.366 1.732 0 0.866 0.866 2.366 2.366 4.366 0.866 0.866 1.366 1.366 4.676 4.676 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 77.9 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 11 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371006039C0000000020000000000000000000000000000000000000000000000000000000B000008000000000080100008000000000800009008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 zinc;2,2,2-trifluoroacetate;hydrate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 zinc;2,2,2-trifluoroacetate;hydrate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 zinc;2,2,2-trifluoroacetate;hydrate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 zinc;2,2,2-trifluoroacetate;hydrate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 zinc;2,2,2-tris(fluoranyl)ethanoate;hydrate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 zinc;2,2,2-trifluoroacetate;hydrate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/2C2HF3O2.H2O.Zn/c2*3-2(4,5)1(6)7;;/h2*(H,6,7);1H2;/q;;;+2/p-2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VUNLDTPRUICHRY-UHFFFAOYSA-L Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 307.909784 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H2F6O5Zn Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 309.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].O.[Zn+2] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].O.[Zn+2] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 81.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 307.909784 16 0 0 0 0 0 0 0 4 -1