6594 1 2 3 4 5 6 17 9 9 9 6 6 1 2 3 4 5 5 5 6 6 6 1 1 1 1 2 1 5 255 1 2 3 4 5 6 2 2.866 4.5981 3.732 2.866 3.732 0.25 -1.25 -0.25 1.25 -0.25 0.25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 72.9 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 00000371004001800400000000000000000000000000000000000000000000000000000000000009020000000000020000100000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-chloro-1,2,2-trifluoro-ethylene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-chloro-1,2,2-trifluoroethene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-chloro-1,2,2-trifluoroethene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-chloro-1,2,2-trifluoroethene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-chloranyl-1,2,2-tris(fluoranyl)ethene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-chloro-1,2,2-trifluoro-ethylene InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2ClF3/c3-1(4)2(5)6 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UUAGAQFQZIEFAH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 115.9640622 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2ClF3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 116.47 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=C(F)Cl)(F)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=C(F)Cl)(F)F 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 2021.10.14 115.9640622 6 0 0 0 0 0 0 0 1 -1