About dipotassium;difluoroboranylformonitrile;bis(1-ethyl-2,3-dimethyl-2H-imidazole);trifluoromethane;dichloride;hydrate
dipotassium;difluoroboranylformonitrile;bis(1-ethyl-2,3-dimethyl-2H-imidazole);trifluoromethane;dichloride;hydrate (PubChem CID 162292978) has the molecular formula C16H30BCl2F5K2N5O-
and a molecular weight of 563.35 g/mol. Its IUPAC name is dipotassium;difluoroboranylformonitrile;bis(1-ethyl-2,3-dimethyl-2H-imidazole);trifluoromethane;dichloride;hydrate.
Molecular Properties
| Compound Name | dipotassium;difluoroboranylformonitrile;bis(1-ethyl-2,3-dimethyl-2H-imidazole);trifluoromethane;dichloride;hydrate |
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| PubChem CID | 162292978 |
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| Molecular Formula | C16H30BCl2F5K2N5O- |
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| Molecular Weight | 563.35 g/mol |
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| Exact Mass | 562.11 |
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| IUPAC Name | dipotassium;difluoroboranylformonitrile;bis(1-ethyl-2,3-dimethyl-2H-imidazole);trifluoromethane;dichloride;hydrate |
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| SMILES | CCN1C=CN(C)C1C.CCN1C=CN(C)C1C.F[C-](F)F.N#CB(F)F.O.[Cl-].[Cl-].[K+].[K+] |
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| InChI | InChI=1S/2C7H14N2.CBF2N.CF3.2ClH.2K.H2O/c2*1-4-9-6-5-8(3)7(9)2;3-2(4)1-5;2-1(3)4;;;;;/h2*5-7H,4H2,1-3H3;;;2*1H;;;1H2/q;;;-1;;;2*+1;/p-2 |
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| InChIKey | ZDSUWQXEAZROHZ-UHFFFAOYSA-L |
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| XLogP | -8.85 |
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| TPSA | 68.25 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 563.35 |
| LogP ≤ 5 | -8.85 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of dipotassium;difluoroboranylformonitrile;bis(1-ethyl-2,3-dimethyl-2H-imidazole);trifluoromethane;dichloride;hydrate?
The IUPAC name of dipotassium;difluoroboranylformonitrile;bis(1-ethyl-2,3-dimethyl-2H-imidazole);trifluoromethane;dichloride;hydrate (CID 162292978) is dipotassium;difluoroboranylformonitrile;bis(1-ethyl-2,3-dimethyl-2H-imidazole);trifluoromethane;dichloride;hydrate.
What is the SMILES notation for dipotassium;difluoroboranylformonitrile;bis(1-ethyl-2,3-dimethyl-2H-imidazole);trifluoromethane;dichloride;hydrate?
The canonical SMILES for dipotassium;difluoroboranylformonitrile;bis(1-ethyl-2,3-dimethyl-2H-imidazole);trifluoromethane;dichloride;hydrate is CCN1C=CN(C)C1C.CCN1C=CN(C)C1C.F[C-](F)F.N#CB(F)F.O.[Cl-].[Cl-].[K+].[K+].
What is the InChIKey of dipotassium;difluoroboranylformonitrile;bis(1-ethyl-2,3-dimethyl-2H-imidazole);trifluoromethane;dichloride;hydrate?
The InChIKey is ZDSUWQXEAZROHZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H14N2.CBF2N.CF3.2ClH.2K.H2O/c2*1-4-9-6-5-8(3)7(9)2;3-2(4)1-5;2-1(3)4;;;;;/h2*5-7H,4H2,1-3H3;;;2*1H;;;1H2/q;;;-1;;;2*+1;/p-2.
What are the key properties of dipotassium;difluoroboranylformonitrile;bis(1-ethyl-2,3-dimethyl-2H-imidazole);trifluoromethane;dichloride;hydrate?
dipotassium;difluoroboranylformonitrile;bis(1-ethyl-2,3-dimethyl-2H-imidazole);trifluoromethane;dichloride;hydrate has a molecular weight of 563.35 g/mol, XLogP of -8.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;difluoroboranylformonitrile;bis(1-ethyl-2,3-dimethyl-2H-imidazole);trifluoromethane;dichloride;hydrate is sourced from PubChem (CID 162292978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).