9638 1 2 3 4 5 6 7 8 9 10 11 12 13 14 9 9 9 9 9 9 9 9 9 9 6 6 6 6 1 2 3 4 5 6 7 8 9 10 11 11 12 11 11 12 12 13 13 13 14 14 14 12 13 14 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 5.0981 4.0981 3.232 4.232 6.3301 5.9641 4.9641 2 2.366 3.366 4.5981 3.732 5.4641 2.866 -0.616 1.116 0.616 -1.116 1.25 -0.116 1.616 -1.25 0.116 -1.616 0.25 -0.25 0.75 -0.75 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 181 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 10 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371006001C00000000000000000000000000000000000000000000000000000000000000009000000000008000000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2,3,3,4,4,4-decafluorobutane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2,3,3,4,4,4-decafluorobutane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2,3,3,4,4,4-decafluorobutane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2,3,3,4,4,4-decafluorobutane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2,3,3,4,4,4-decakis(fluoranyl)butane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2,3,3,4,4,4-decafluorobutane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KAVGMUDTWQVPDF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 237.98403162 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4F10 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 238.03 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(C(F)(F)F)(F)F)(C(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(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 2021.10.14 237.98403162 14 0 0 0 0 0 0 0 1 -1