9386 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 6 6 6 6 6 6 6 6 6 6 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 19 19 20 20 21 22 23 24 25 26 19 20 21 21 22 22 23 23 24 24 25 25 26 26 27 27 28 28 20 21 22 23 24 25 26 27 28 27 28 1 1 1 1 1 1 1 1 1 1 1 1 1 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 18 19 20 21 22 23 24 25 26 27 28 4.732 4.732 6.116 5.441 3.366 4.0397 6.116 5.441 3.366 4.0397 7.532 7.0287 2 2.5 7.532 7.0287 2 2.5 4.732 4.732 5.626 3.866 5.626 3.866 6.5321 3 6.5321 3 1.5 -1.5 1.9064 2.0174 1.866 1.9848 -1.9064 -2.0174 -1.866 -1.9848 0.5247 1.3888 0.5 1.366 -0.5247 -1.3888 -0.5 -1.366 0.5 -0.5 1.0347 1 -1.0347 -1 0.5208 0.5 -0.5208 -0.5 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 587 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 18 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 00000371007001C0000000000000000000000000000000000000306000000000000000C00000000900000000000C000000100000000000000000000000000000000000000000000000000000020000000000000000000000010080800E80000000000000000000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluorodecalin IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,2,2,3,3,4,4,4<I>a</I>,5,5,6,6,7,7,8,8,8<I>a</I>-octadecafluoronaphthalene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecakis(fluoranyl)naphthalene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluorodecalin InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UWEYRJFJVCLAGH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 461.9712569 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10F18 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 462.08 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C12(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C12(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(C(C(C2(F)F)(F)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 2021.10.14 461.9712569 28 0 0 0 0 0 0 0 1 -1