62406 1 2 3 4 5 6 7 8 9 16 9 9 9 8 8 8 6 1 1 1 1 1 2 3 4 5 5 6 7 8 8 8 8 9 1 2 2 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 3.403 5.135 4.769 3.769 2.5369 2.903 3.903 4.269 2 -0.25 0.75 -0.616 1.116 -0.75 0.616 -1.116 0.25 -0.44 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 158 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 1 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371000031804000000000000000000000000000000000000000000000000000000000000001040008000000000000100000000000820000000000700000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 trifluoromethanesulfonic acid IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 trifluoromethanesulfonic acid IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 trifluoromethanesulfonic acid IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 tris(fluoranyl)methanesulfonic acid IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 triflic acid InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7) InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 ITMCEJHCFYSIIV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 0.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 149.95985 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 CHF3O3S Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 150.07705 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C(F)(F)(F)S(=O)(=O)O SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C(F)(F)(F)S(=O)(=O)O Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 62.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 149.95985 8 0 0 0 0 0 0 0 1 1