9639 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 9 9 9 9 9 9 9 9 9 9 9 9 9 9 6 6 6 6 6 6 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 15 16 17 18 15 15 16 16 17 17 18 18 19 19 19 20 20 20 16 17 18 19 20 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 5.0981 4.0981 5.9641 4.9641 3.232 4.232 6.8301 5.8301 2 2.366 3.366 8.0622 7.6962 6.6962 4.5981 5.4641 3.732 6.3301 2.866 7.1962 -1.116 0.616 -0.616 1.116 0.116 -1.616 -0.116 1.616 -1.75 -0.384 -2.116 1.75 0.384 2.116 -0.25 0.25 -0.75 0.75 -1.25 1.25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 319 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 14 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 00000371006001C00000000000000000000000000000000000000000000000000000000000000009000000000008000000100000000000000000000000000000000000000000000000000000020000000000000000000000010000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecakis(fluoranyl)hexane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZJIJAJXFLBMLCK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 337.9776443 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6F14 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 338.04 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(C(C(F)(F)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(C(F)(F)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 2021.10.14 337.9776443 20 0 0 0 0 0 0 0 1 -1