3562 1 2 3 4 5 6 7 8 35 17 9 9 9 6 6 1 1 2 3 4 5 6 7 7 7 6 6 6 7 8 1 1 1 1 1 1 1 7 1 2 6 8 3 1 1 5 255 1 2 3 4 5 6 7 8 4.5981 3.732 2 2.366 3.366 2.866 3.732 3.732 -0.317 1.183 -0.817 0.549 -1.183 -0.317 0.183 -0.437 3 7 2 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 60.4 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371004001800410000000000000000000000000000000000000000000000000000000000019024000000140038000500000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-bromo-2-chloro-1,1,1-trifluoro-ethane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-bromo-2-chloro-1,1,1-trifluoroethane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-bromo-2-chloro-1,1,1-trifluoroethane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-bromo-2-chloro-1,1,1-trifluoroethane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-bromanyl-2-chloranyl-1,1,1-tris(fluoranyl)ethane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-bromo-2-chloro-1,1,1-trifluoro-ethane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BCQZXOMGPXTTIC-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 195.89022 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2HBrClF3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 197.38 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(F)(F)F)(Cl)Br SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(F)(F)F)(Cl)Br Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 195.89022 7 1 0 1 0 0 0 0 1 -1