6431 1 2 3 4 5 6 7 8 9 9 9 9 9 9 6 6 1 2 3 4 5 6 7 7 7 7 8 8 8 8 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 2 2.366 3.366 4.5981 4.232 3.232 2.866 3.732 -0.75 0.616 -1.116 0.75 -0.616 1.116 -0.25 0.25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 61.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 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 00000371004001C00000000000000000000000000000000000000000000000000000000000000009000000000000000000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2,2-hexafluoroethane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2,2-hexafluoroethane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2,2-hexafluoroethane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2,2-hexafluoroethane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2,2-hexakis(fluoranyl)ethane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2,2-hexafluoroethane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2F6/c3-1(4,5)2(6,7)8 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WMIYKQLTONQJES-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 137.99041897 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2F6 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 138.01 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(F)(F)F)(F)(F)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(F)(F)F)(F)(F)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 137.99041897 8 0 0 0 0 0 0 0 1 1