About CID 11537257
CID 11537257 (PubChem CID 11537257) has the molecular formula C11H11F3O3SV+4
and a molecular weight of 331.21 g/mol.
Molecular Properties
| Compound Name | CID 11537257 |
|---|
| PubChem CID | 11537257 |
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| Molecular Formula | C11H11F3O3SV+4 |
|---|
| Molecular Weight | 331.21 g/mol |
|---|
| Exact Mass | 330.98 |
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| IUPAC Name | — |
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| SMILES | O=S(=O)(O)C(F)(F)F.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[V+4] |
|---|
| InChI | InChI=1S/2C5H5.CHF3O3S.V/c2*1-2-4-5-3-1;2-1(3,4)8(5,6)7;/h2*1-5H;(H,5,6,7);/q;;;+4 |
|---|
| InChIKey | YRIWNWCPIGMACO-UHFFFAOYSA-N |
|---|
| XLogP | 2.43 |
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| TPSA | 54.37 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 19 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 331.21 |
| LogP ≤ 5 | 2.43 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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 11537257?
The IUPAC name of CID 11537257 (CID 11537257) is not available.
What is the SMILES notation for CID 11537257?
The canonical SMILES for CID 11537257 is O=S(=O)(O)C(F)(F)F.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[V+4].
What is the InChIKey of CID 11537257?
The InChIKey is YRIWNWCPIGMACO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.CHF3O3S.V/c2*1-2-4-5-3-1;2-1(3,4)8(5,6)7;/h2*1-5H;(H,5,6,7);/q;;;+4.
What are the key properties of CID 11537257?
CID 11537257 has a molecular weight of 331.21 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11537257 is sourced from PubChem (CID 11537257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).