57371488 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 9 9 9 9 9 9 8 8 8 8 8 8 8 8 6 6 6 6 1 1 1 1 1 1 1 1 1 2 8 -1 9 -1 2 3 4 5 6 7 8 9 10 11 12 12 13 13 14 14 15 15 16 17 16 16 16 17 17 17 18 19 18 19 20 21 22 23 24 25 26 27 18 19 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 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 19 20 21 22 23 24 25 26 27 6.538 3.0739 3.4399 4.4399 10.0021 9.636 8.636 5.672 7.404 4.8059 8.27 6.538 6.538 0.5369 6.538 3.9399 9.136 4.8059 8.27 7.0749 6.001 7.0749 6.001 1.0739 0 7.0749 6.001 1.366 0.366 1.732 0 0.366 1.732 0 0.866 0.866 2.366 2.366 4.366 6.866 4.683 9.366 0.866 0.866 1.366 1.366 4.676 4.676 7.176 7.176 4.993 4.993 9.676 9.676 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 14 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 00000371C0603DC0000000080000000000000000000000000000000000000000000000000000000B000008000000000080100008000000000800009008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 nickelous;2,2,2-trifluoroacetate;tetrahydrate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 nickel(2+);2,2,2-trifluoroacetate;tetrahydrate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 nickel(2+);2,2,2-trifluoroacetate;tetrahydrate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 nickel(2+);2,2,2-trifluoroacetate;tetrahydrate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 nickel(2+);2,2,2-tris(fluoranyl)ethanoate;tetrahydrate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 nickelous;2,2,2-trifluoroacetate;tetrahydrate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/2C2HF3O2.Ni.4H2O/c2*3-2(4,5)1(6)7;;;;;/h2*(H,6,7);;4*1H2/q;;+2;;;;/p-2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 SSQGMBUOXDWHIJ-UHFFFAOYSA-L Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 355.947678 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H8F6NiO8 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 356.79 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.O.O.O.[Ni+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.O.O.O.[Ni+2] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 84.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 355.947678 19 0 0 0 0 0 0 0 7 -1