About CID 10919134
CID 10919134 (PubChem CID 10919134) has the molecular formula C12H12F6HfO6S2
and a molecular weight of 608.83 g/mol.
Molecular Properties
| Compound Name | CID 10919134 |
|---|
| PubChem CID | 10919134 |
|---|
| Molecular Formula | C12H12F6HfO6S2 |
|---|
| Molecular Weight | 608.83 g/mol |
|---|
| Exact Mass | 609.94 |
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| IUPAC Name | — |
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| SMILES | O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Hf] |
|---|
| InChI | InChI=1S/2C5H5.2CHF3O3S.Hf/c2*1-2-4-5-3-1;2*2-1(3,4)8(5,6)7;/h2*1-5H;2*(H,5,6,7); |
|---|
| InChIKey | LICQYBHTVIJBDY-UHFFFAOYSA-N |
|---|
| XLogP | 2.83 |
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| TPSA | 108.74 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | |
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| Heavy Atoms | 27 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 608.83 |
| LogP ≤ 5 | 2.83 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 10919134?
The IUPAC name of CID 10919134 (CID 10919134) is not available.
What is the SMILES notation for CID 10919134?
The canonical SMILES for CID 10919134 is O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Hf].
What is the InChIKey of CID 10919134?
The InChIKey is LICQYBHTVIJBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.2CHF3O3S.Hf/c2*1-2-4-5-3-1;2*2-1(3,4)8(5,6)7;/h2*1-5H;2*(H,5,6,7);.
What are the key properties of CID 10919134?
CID 10919134 has a molecular weight of 608.83 g/mol, XLogP of 2.83, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10919134 is sourced from PubChem (CID 10919134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).