69610 1 2 3 4 5 6 7 8 15 9 9 8 6 1 1 1 1 1 1 1 5 5 5 2 3 4 5 6 7 8 1 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 2.866 3.732 2 3.366 2.366 2.903 2.056 1.8291 0 0.5 -0.5 -0.866 0.866 1.176 1.403 0.556 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 64 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 00000371000021820000000000000000000000000000000000000000000000000000000000000010080000280000000000000200000000000040000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 difluorophosphorylmethane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 difluorophosphorylmethane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 difluorophosphorylmethane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 difluorophosphorylmethane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(fluoranyl)phosphorylmethane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 difluorophosphorylmethane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CH3F2OP/c1-5(2,3)4/h1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PQIOSYKVBBWRRI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 99.98895804 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CH3F2OP Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 100.004 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CP(=O)(F)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CP(=O)(F)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 17.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 99.98895804 5 0 0 0 0 0 0 0 1 -1