54606905 1 2 3 4 5 6 7 8 9 29 9 9 9 8 8 6 6 1 1 2 2 3 4 5 5 6 7 7 7 7 8 9 8 8 1 1 1 1 1 2 1 1 5 255 1 2 3 4 5 6 7 8 9 1.3175 0 0.366 1.366 2.5981 1.732 0.866 1.732 3.135 0 2.866 4.232 2.5 3.366 4.866 3.366 3.866 3.676 2 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 83.4 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 0000037100403180000000040000000000000000000000000000000000000000000000000000000B000008000000000080100008000002000800009008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 copper;2,2,2-trifluoroacetic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 copper;2,2,2-trifluoroacetic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 copper;2,2,2-trifluoroacetic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 copper;2,2,2-trifluoroacetic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 copper;2,2,2-tris(fluoranyl)ethanoic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cupric;2,2,2-trifluoroacetic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2HF3O2.Cu/c3-2(4,5)1(6)7;/h(H,6,7);/q;+2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GDLJCVXRBGBMCK-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 176.922461 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2HCuF3O2+2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 177.57 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=O)(C(F)(F)F)O.[Cu+2] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=O)(C(F)(F)F)O.[Cu+2] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 37.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 176.922461 8 0 0 0 0 0 0 0 2 1