7305 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 15 9 8 8 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 5 5 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 2 3 4 11 6 6 7 8 9 10 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 11 3 1 6 3 5 10 12 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 5.4641 6.3301 4.5981 4.9641 2.866 3.732 2 2.366 3.366 3.732 5.9641 3.732 1.69 1.4631 2.31 2.903 2.056 1.8291 2.8291 3.676 3.903 4.352 3.732 3.112 5.4272 6.2741 6.501 0.183 0.683 -0.317 1.049 -0.317 0.183 -0.817 0.549 -1.183 1.183 -0.683 -0.437 -0.2801 -1.127 -1.3539 0.859 1.086 0.239 -1.493 -1.72 -0.873 1.183 1.803 1.183 -0.993 -1.22 -0.373 3 3 1 6 2 10 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 174 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0603102000000000000000000000000000000000000000000000000000000000000001A08000028000E14A080020200000001100040000000800000000000000000000000000000000000000000000000000000000000000900000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethyl-butane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[fluoranyl(methyl)phosphoryl]oxy-2,2-dimethyl-butane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethyl-butane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C7H16FO2P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GRXKLBBBQUKJJZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 182.08719491 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C7H16FO2P Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 182.17 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C(C)(C)C)OP(=O)(C)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C(C)(C)C)OP(=O)(C)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 26.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 182.08719491 11 2 0 2 0 0 0 0 1 1