About CID 11283778
CID 11283778 (PubChem CID 11283778) has the molecular formula C12H12F6O6S2Zr+2
and a molecular weight of 521.57 g/mol.
Molecular Properties
| Compound Name | CID 11283778 |
|---|
| PubChem CID | 11283778 |
|---|
| Molecular Formula | C12H12F6O6S2Zr+2 |
|---|
| Molecular Weight | 521.57 g/mol |
|---|
| Exact Mass | 519.90 |
|---|
| 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.[Zr+2] |
|---|
| InChI | InChI=1S/2C5H5.2CHF3O3S.Zr/c2*1-2-4-5-3-1;2*2-1(3,4)8(5,6)7;/h2*1-5H;2*(H,5,6,7);/q;;;;+2 |
|---|
| InChIKey | VIORRMXBKMYJNZ-UHFFFAOYSA-N |
|---|
| XLogP | 2.83 |
|---|
| 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 | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 521.57 |
| 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 11283778?
The IUPAC name of CID 11283778 (CID 11283778) is not available.
What is the SMILES notation for CID 11283778?
The canonical SMILES for CID 11283778 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.[Zr+2].
What is the InChIKey of CID 11283778?
The InChIKey is VIORRMXBKMYJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.2CHF3O3S.Zr/c2*1-2-4-5-3-1;2*2-1(3,4)8(5,6)7;/h2*1-5H;2*(H,5,6,7);/q;;;;+2.
What are the key properties of CID 11283778?
CID 11283778 has a molecular weight of 521.57 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 11283778 is sourced from PubChem (CID 11283778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).