About tetrakis(fluoro(dioxido)borane);octakis([[fluoro(methyl)amino]-methoxymethylidene]-dimethylazanium)
tetrakis(fluoro(dioxido)borane);octakis([[fluoro(methyl)amino]-methoxymethylidene]-dimethylazanium) (PubChem CID 173272961) has the molecular formula C40H96B4F12N16O16
and a molecular weight of 1328.53 g/mol. Its IUPAC name is tetrakis(fluoro(dioxido)borane);octakis([[fluoro(methyl)amino]-methoxymethylidene]-dimethylazanium).
Molecular Properties
| Compound Name | tetrakis(fluoro(dioxido)borane);octakis([[fluoro(methyl)amino]-methoxymethylidene]-dimethylazanium) |
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| PubChem CID | 173272961 |
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| Molecular Formula | C40H96B4F12N16O16 |
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| Molecular Weight | 1328.53 g/mol |
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| Exact Mass | 1328.74 |
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| IUPAC Name | tetrakis(fluoro(dioxido)borane);octakis([[fluoro(methyl)amino]-methoxymethylidene]-dimethylazanium) |
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| SMILES | COC(N(C)F)=[N+](C)C.COC(N(C)F)=[N+](C)C.COC(N(C)F)=[N+](C)C.COC(N(C)F)=[N+](C)C.COC(N(C)F)=[N+](C)C.COC(N(C)F)=[N+](C)C.COC(N(C)F)=[N+](C)C.COC(N(C)F)=[N+](C)C.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F |
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| InChI | InChI=1S/8C5H12FN2O.4BFO2/c8*1-7(2)5(9-4)8(3)6;4*2-1(3)4/h8*1-4H3;;;;/q8*+1;4*-2 |
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| InChIKey | XOLRFPMCACQGFL-UHFFFAOYSA-N |
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| XLogP | -8.74 |
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| TPSA | 308.32 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 16 |
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| Rotatable Bonds | |
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| Heavy Atoms | 88 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 1328.53 |
| LogP ≤ 5 | -8.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of tetrakis(fluoro(dioxido)borane);octakis([[fluoro(methyl)amino]-methoxymethylidene]-dimethylazanium)?
The IUPAC name of tetrakis(fluoro(dioxido)borane);octakis([[fluoro(methyl)amino]-methoxymethylidene]-dimethylazanium) (CID 173272961) is tetrakis(fluoro(dioxido)borane);octakis([[fluoro(methyl)amino]-methoxymethylidene]-dimethylazanium).
What is the SMILES notation for tetrakis(fluoro(dioxido)borane);octakis([[fluoro(methyl)amino]-methoxymethylidene]-dimethylazanium)?
The canonical SMILES for tetrakis(fluoro(dioxido)borane);octakis([[fluoro(methyl)amino]-methoxymethylidene]-dimethylazanium) is COC(N(C)F)=[N+](C)C.COC(N(C)F)=[N+](C)C.COC(N(C)F)=[N+](C)C.COC(N(C)F)=[N+](C)C.COC(N(C)F)=[N+](C)C.COC(N(C)F)=[N+](C)C.COC(N(C)F)=[N+](C)C.COC(N(C)F)=[N+](C)C.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.
What is the InChIKey of tetrakis(fluoro(dioxido)borane);octakis([[fluoro(methyl)amino]-methoxymethylidene]-dimethylazanium)?
The InChIKey is XOLRFPMCACQGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/8C5H12FN2O.4BFO2/c8*1-7(2)5(9-4)8(3)6;4*2-1(3)4/h8*1-4H3;;;;/q8*+1;4*-2.
What are the key properties of tetrakis(fluoro(dioxido)borane);octakis([[fluoro(methyl)amino]-methoxymethylidene]-dimethylazanium)?
tetrakis(fluoro(dioxido)borane);octakis([[fluoro(methyl)amino]-methoxymethylidene]-dimethylazanium) has a molecular weight of 1328.53 g/mol, XLogP of -8.74, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(fluoro(dioxido)borane);octakis([[fluoro(methyl)amino]-methoxymethylidene]-dimethylazanium) is sourced from PubChem (CID 173272961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).