157857 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 16 16 9 9 9 9 9 9 8 8 8 8 7 6 6 1 1 1 1 1 2 2 2 2 3 4 5 6 7 8 13 9 10 13 14 11 12 13 15 14 14 14 15 15 15 16 2 2 1 1 2 2 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 5.4641 3.732 7.1962 5.8301 6.8301 2 2.366 3.366 4.9641 5.9641 3.232 4.232 4.5981 6.3301 2.866 4.5981 -0.123 -0.123 0.877 1.243 -0.489 0.877 -0.489 1.243 0.743 -0.989 -0.989 0.743 -0.623 0.377 0.377 -1.243 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 374 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371004239C06000000000000000000000000000000000000000000000000000000000000001041040000000000000100000000000020000000000700000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1-trifluoro-<I>N</I>-(trifluoromethylsulfonyl)methanesulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1-tris(fluoranyl)-N-(trifluoromethylsulfonyl)methanesulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1-trifluoro-N-triflyl-methanesulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2HF6NO4S2/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZXMGHDIOOHOAAE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 280.92511883 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2HF6NO4S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 281.16 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(F)(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(F)(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 97.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 280.92511883 15 0 0 0 0 0 0 0 1 -1