22392675 1 2 3 4 5 6 7 8 9 10 11 9 9 9 8 8 8 6 6 1 1 1 1 2 3 4 4 5 6 6 7 7 7 7 8 9 8 10 11 8 1 1 1 1 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 0 0.366 1.366 2.5981 1.732 1.5675 0.866 1.732 3.135 2.1044 1.0306 0.366 1.732 0 0.866 2.366 4.366 0.866 1.366 1.176 4.676 4.676 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 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 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 2,2,2-trifluoroacetic acid;hydrate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-trifluoroacetic acid;hydrate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-trifluoroacetic acid;hydrate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-trifluoroacetic acid;hydrate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-tris(fluoranyl)ethanoic acid;hydrate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-trifluoroacetic acid;hydrate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C2HF3O2.H2O/c3-2(4,5)1(6)7;/h(H,6,7);1H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XXMFJKNOJSDQBM-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 132.00342844 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C2H3F3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 132.04 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(=O)(C(F)(F)F)O.O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(=O)(C(F)(F)F)O.O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 38.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 132.00342844 8 0 0 0 0 0 0 0 2 -1