3763 1 2 3 4 5 6 7 8 9 10 11 12 17 9 9 9 9 9 8 6 6 6 1 1 1 2 3 4 5 6 7 7 8 8 10 8 9 9 9 10 10 8 10 9 11 12 1 1 1 1 1 1 1 1 1 1 1 8 1 7 9 11 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 3.732 2 2.366 3.366 6.3301 5.4641 4.5981 3.732 2.866 5.4641 3.732 5.4641 1.183 -0.817 0.549 -1.183 -0.317 1.183 -0.317 0.183 -0.317 0.183 -0.437 -0.437 3 8 1 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 102 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371004021C0040000000000000000000000000000000000000000000000000000000000001B02000000000003A080520000000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoro-ethane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[bis(fluoranyl)methoxy]-2-chloranyl-1,1,1-tris(fluoranyl)ethane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoro-ethane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PIWKPBJCKXDKJR-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 183.9714332 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C3H2ClF5O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 184.49 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(F)(F)F)(OC(F)F)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(F)(F)F)(OC(F)F)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 9.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 183.9714332 10 1 0 1 0 0 0 0 1 -1