20204000 1 2 3 4 5 6 7 8 9 10 17 9 9 9 8 8 6 6 1 1 1 2 3 4 5 5 6 7 10 7 7 7 8 9 8 8 1 1 1 1 1 1 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 1.0675 0 0.366 1.366 2.5981 1.732 0.866 1.732 3.135 2.0675 0 2.866 4.232 2.5 3.366 4.866 3.366 3.866 3.676 0 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 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 0000037100403180040000000000000000000000000000000000000000000000000000000000000B000008000000000080100008000002000800009008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-trifluoroacetic acid;hydrochloride IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-trifluoroacetic acid;hydrochloride IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-trifluoroacetic acid;hydrochloride IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-trifluoroacetic acid;hydrochloride IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-tris(fluoranyl)ethanoic acid;hydrochloride IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-trifluoroacetic acid;hydrochloride InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C2HF3O2.ClH/c3-2(4,5)1(6)7;/h(H,6,7);1H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UJAICWUNNPDCPV-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 149.9695415 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C2H2ClF3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 150.48 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(=O)(C(F)(F)F)O.Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(=O)(C(F)(F)F)O.Cl 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 2021.05.07 149.9695415 8 0 0 0 0 0 0 0 2 -1