5206 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 9 9 9 9 9 9 9 8 6 6 6 6 1 1 1 1 2 3 4 5 6 7 8 8 9 9 9 12 12 10 10 10 11 11 11 12 9 12 10 11 13 14 15 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 5.4641 5.0981 4.0981 2 2.366 3.366 2.866 3.732 3.732 4.5981 2.866 2.866 4.269 2.654 2.2554 1.567 0.201 1.933 1.567 0.201 1.933 -1.933 -0.433 0.567 1.067 1.067 -0.933 0.257 -0.3504 -1.0407 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 121 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371006021C0000000000000000000000000000000000000000000000000000000000000001B00000000000814A080120000000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,3,3,3-hexakis(fluoranyl)-2-(fluoranylmethoxy)propane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DFEYYRMXOJXZRJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 200.00721185 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H3F7O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 200.05 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(OC(C(F)(F)F)C(F)(F)F)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(OC(C(F)(F)F)C(F)(F)F)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 9.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 200.00721185 12 0 0 0 0 0 0 0 1 -1