57367833 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 69 9 9 9 9 9 9 9 9 9 8 8 8 8 8 8 6 6 6 6 6 6 1 1 1 2 3 4 5 6 7 8 9 10 11 11 12 12 13 13 14 15 16 17 18 19 17 17 17 18 18 18 19 19 19 20 23 21 24 22 25 20 21 22 20 21 22 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 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 6.4525 0 0.366 1.366 5.135 5.501 6.501 5.135 5.501 6.501 2.5981 7.7331 7.7331 1.732 6.8671 6.8671 0.866 6.001 6.001 1.732 6.8671 6.8671 3.135 8.27 8.27 0 3.799 5.1651 3.433 2.866 4.232 2.5 7.232 8.5981 6.866 4.299 3.366 7.732 5.799 4.866 9.232 4.299 3.366 7.732 4.799 3.866 8.232 4.609 3.676 8.042 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 83.4 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 15 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371006039C0000000000000000000010000000000000000000000000000000000000000000B000008000000000080100008000002000800009008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 thulium;2,2,2-trifluoroacetic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 thulium;2,2,2-trifluoroacetic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 thulium;2,2,2-trifluoroacetic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 thulium;2,2,2-trifluoroacetic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 thulium;2,2,2-tris(fluoranyl)ethanoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 thulium;2,2,2-trifluoroacetic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/3C2HF3O2.Tm/c3*3-2(4,5)1(6)7;/h3*(H,6,7); InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KWAUUDCFTRZXAK-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 510.912810 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H3F9O6Tm Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 511.00 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.[Tm] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.[Tm] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 112 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 510.912810 22 0 0 0 0 0 0 0 4 -1