10964458 1 2 3 4 5 6 7 8 9 9 9 8 8 6 6 1 8 3 1 2 3 4 4 5 6 6 6 6 7 8 7 7 1 1 1 1 1 2 1 1 5 255 1 2 3 4 5 6 7 8 2 2.366 3.366 4.5981 3.732 2.866 3.732 5.135 -0.817 0.549 -1.183 -0.317 1.183 -0.317 0.183 -0.007 0 Compound Canonicalized 5 2010.01.29 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 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 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 0000037100403180000000000000000000000000000000000000000000000000000000000000000B000008000000000080100008000002000800009008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 tritio 2,2,2-trifluoroacetate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-trifluoroacetic acid tritio ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 tritio 2,2,2-trifluoroacetate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 tritio 2,2,2-trifluoroacetate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 tritio 2,2,2-tris(fluoranyl)ethanoate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-trifluoroacetic acid tritio ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)/i/hT InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DTQVDTLACAAQTR-MNYXATJNSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 116.00108801 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C2HF3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 116.03 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(=O)(C(F)(F)F)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [3H]OC(=O)C(F)(F)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 37.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 116.00108801 7 0 0 0 0 0 0 1 1 -1