31301 1 2 3 4 5 6 7 8 35 35 9 9 9 9 6 6 1 2 3 4 5 6 7 7 8 7 7 8 8 8 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 2 4.5981 2.366 3.366 4.232 3.232 2.866 3.732 -0.75 0.75 0.616 -1.116 -0.616 1.116 -0.25 0.25 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 78 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371004001C00018000000000000000000000000000000000000000000000000000000000009004000000100000000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 1,2-dibromo-1,1,2,2-tetrafluoro-ethane IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 1,2-dibromo-1,1,2,2-tetrafluoroethane IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 1,2-dibromo-1,1,2,2-tetrafluoroethane IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 1,2-bis(bromanyl)-1,1,2,2-tetrakis(fluoranyl)ethane IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 1,2-dibromo-1,1,2,2-tetrafluoro-ethane InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C2Br2F4/c3-1(5,6)2(4,7)8 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 KVBKAPANDHPRDG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 3.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 259.828241 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C2Br2F4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 259.823013 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C(C(F)(F)Br)(F)(F)Br SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C(C(F)(F)Br)(F)(F)Br Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 0 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 257.830287 8 0 0 0 0 0 0 0 1 1