6422 1 2 3 4 5 6 7 8 9 9 9 8 8 6 6 1 1 2 3 4 4 5 6 6 6 6 7 8 7 7 1 1 1 1 1 2 1 1 3 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 2011.04.04 1 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 114.02335 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 113.992864 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 113.992864 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 C2HF3O2 InChI Standard 1 1.0.3 InChI nist.gov 2011.04.04 InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.04.04 DTQVDTLACAAQTR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.04.04 0.9 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.04.04 C(=O)(C(F)(F)F)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.04.04 C(=O)(C(F)(F)F)O IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.04.04 2,2,2-trifluoroacetic acid IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.04.04 2,2,2-trifluoroacetic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.04.04 2,2,2-trifluoroacetic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.04.04 2,2,2-trifluoroacetic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.04.04 2,2,2-tris(fluoranyl)ethanoic acid Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.04.04 1 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.04.04 5 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.04.04 0 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.04.04 83.4 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.04.04 37.3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.04.04 0000037100403180000000000000000000000000000000000000000000000000000000000000000B000008000000000080100008000002000800009008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 7 0 0 0 0 0 0 0 1 1