About hafnium(4+);(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;2-methyl-4-phenyl-1H-inden-1-ide;difluoride
hafnium(4+);(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;2-methyl-4-phenyl-1H-inden-1-ide;difluoride (PubChem CID 87830362) has the molecular formula C32H27F2HfP
and a molecular weight of 659.03 g/mol. Its IUPAC name is hafnium(4+);(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;2-methyl-4-phenyl-1H-inden-1-ide;difluoride.
Molecular Properties
| Compound Name | hafnium(4+);(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;2-methyl-4-phenyl-1H-inden-1-ide;difluoride |
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| PubChem CID | 87830362 |
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| Molecular Formula | C32H27F2HfP |
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| Molecular Weight | 659.03 g/mol |
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| Exact Mass | 660.13 |
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| IUPAC Name | hafnium(4+);(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;2-methyl-4-phenyl-1H-inden-1-ide;difluoride |
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| SMILES | Cc1[cH-]c2ccccc2c1Pc1ccccc1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.[F-].[F-].[Hf+4] |
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| InChI | InChI=1S/C16H14P.C16H13.2FH.Hf/c1-12-11-13-7-5-6-10-15(13)16(12)17-14-8-3-2-4-9-14;1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;;;/h2-11,17H,1H3;2-11H,1H3;2*1H;/q2*-1;;;+4/p-2 |
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| InChIKey | AQCRPTXDSKOISM-UHFFFAOYSA-L |
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| XLogP | 2.04 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 659.03 |
| LogP ≤ 5 | 2.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of hafnium(4+);(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;2-methyl-4-phenyl-1H-inden-1-ide;difluoride?
The IUPAC name of hafnium(4+);(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;2-methyl-4-phenyl-1H-inden-1-ide;difluoride (CID 87830362) is hafnium(4+);(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;2-methyl-4-phenyl-1H-inden-1-ide;difluoride.
What is the SMILES notation for hafnium(4+);(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;2-methyl-4-phenyl-1H-inden-1-ide;difluoride?
The canonical SMILES for hafnium(4+);(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;2-methyl-4-phenyl-1H-inden-1-ide;difluoride is Cc1[cH-]c2ccccc2c1Pc1ccccc1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.[F-].[F-].[Hf+4].
What is the InChIKey of hafnium(4+);(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;2-methyl-4-phenyl-1H-inden-1-ide;difluoride?
The InChIKey is AQCRPTXDSKOISM-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H14P.C16H13.2FH.Hf/c1-12-11-13-7-5-6-10-15(13)16(12)17-14-8-3-2-4-9-14;1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;;;/h2-11,17H,1H3;2-11H,1H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of hafnium(4+);(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;2-methyl-4-phenyl-1H-inden-1-ide;difluoride?
hafnium(4+);(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;2-methyl-4-phenyl-1H-inden-1-ide;difluoride has a molecular weight of 659.03 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium(4+);(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;2-methyl-4-phenyl-1H-inden-1-ide;difluoride is sourced from PubChem (CID 87830362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).