12675 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 9 9 9 9 9 9 9 9 9 9 9 9 6 6 6 6 6 1 2 3 4 5 6 7 8 9 10 11 12 13 13 14 15 13 13 14 14 15 15 16 16 16 17 17 17 14 15 16 17 1 1 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 4.0981 5.0981 4.9641 5.9641 3.232 4.232 7.1962 6.8301 5.8301 2 2.366 3.366 4.5981 5.4641 3.732 6.3301 2.866 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 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 250 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 12 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 00000371006001C00000000000000000000000000000000000000000000000000000000000000009000000000008000000100000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2,3,3,4,4,5,5,5-dodecakis(fluoranyl)pentane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NJCBUSHGCBERSK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 287.9808379 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C5F12 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 288.03 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(C(F)(F)F)(F)F)(C(C(F)(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 2021.10.14 287.9808379 17 0 0 0 0 0 0 0 1 -1