78976 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 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 8 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 17 18 18 19 20 21 23 24 18 19 19 20 20 21 21 23 23 22 22 24 24 25 25 25 18 22 19 20 21 23 22 24 25 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 18 1 17 19 20 3 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 3.1723 2 2.3633 5.1569 3.5388 3.2601 2.309 5.7447 4.1266 5.2111 4.2601 4.7144 6.3324 6.699 5.3022 6.9202 4.5691 3.7601 2.9511 4.3479 3.2601 4.2601 4.9356 5.5234 6.1112 0.0559 -1.6499 -0.5319 -0.5319 0.6437 -3.292 -2.601 0.2771 1.4527 -2.601 -3.292 2.2617 1.0861 3.292 3.0707 1.8952 -1.3409 -0.7531 -1.3409 0.0559 -2.292 -2.292 0.8649 1.6739 2.483 3 18 1 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 545 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 17 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371007021C0000000000000000000000000000120000000000000000000000000000000000B0000000000080400801000000000040000000000000000000000000000000000000000000200000002000004000000000180C0A00000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)tetrahydrofuran IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,2,3,3,4,4,5-heptakis(fluoranyl)-5-[1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butyl]oxolane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)tetrahydrofuran InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C8F16O/c9-1(10,4(15,16)7(20,21)22)2(11,12)6(19)3(13,14)5(17,18)8(23,24)25-6 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FYJQJMIEZVMYSD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 415.9693652 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C8F16O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 416.06 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1(C(C(OC1(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F)(F)F)(F)F)(F)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1(C(C(OC1(C(C(C(C(F)(F)F)(F)F)(F)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 9.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 415.9693652 25 1 0 1 0 0 0 0 1 -1