67815 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 16 9 9 9 9 9 9 9 9 9 8 8 8 6 6 6 6 1 1 1 1 1 2 3 4 5 6 7 8 9 10 11 14 14 16 11 12 13 15 14 14 15 15 16 16 17 17 17 18 15 16 17 1 2 2 1 1 1 1 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 6.3301 4.0981 5.0981 4.9641 5.9641 3.232 4.232 2 2.366 3.366 7.1962 6.8301 5.8301 4.5981 5.4641 3.732 2.866 7.7331 1 0.866 -0.866 1.366 -0.366 0.366 -1.366 -1.5 -0.134 -1.866 1.5 0.134 1.866 0 0.5 -0.5 -1 1.19 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 387 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 12 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371006031C04000000000000000000000000000000000000000000000000000000000000009040008000008000040100000000000820000000000704000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonic acid IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonic acid IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C4HF9O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H,14,15,16) InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 JGTNAGYHADQMCM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 2.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 299.950269 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C4HF9O3S Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 300.099569 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F 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 2012.02.08 299.950269 17 0 0 0 0 0 0 0 1 1