About CID 10919330
CID 10919330 (PubChem CID 10919330) has the molecular formula C20H14B2F8O2W-2
and a molecular weight of 643.78 g/mol.
Molecular Properties
| Compound Name | CID 10919330 |
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| PubChem CID | 10919330 |
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| Molecular Formula | C20H14B2F8O2W-2 |
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| Molecular Weight | 643.78 g/mol |
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| Exact Mass | 644.06 |
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| IUPAC Name | — |
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| SMILES | F[B-](F)(F)F.F[B-](F)(F)F.[C-]#[O+].[C-]#[O+].[CH]1[CH][C]2C=CC=C[C]2[CH]1.[CH]1[CH][C]2C=CC=C[C]2[CH]1.[W] |
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| InChI | InChI=1S/2C9H7.2CO.2BF4.W/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2;2*2-1(3,4)5;/h2*1-7H;;;;;/q;;;;2*-1; |
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| InChIKey | BRGLURPAZUVMSZ-UHFFFAOYSA-N |
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| XLogP | 6.30 |
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| TPSA | 39.80 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 643.78 |
| LogP ≤ 5 | 6.30 |
| 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': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 10919330?
The IUPAC name of CID 10919330 (CID 10919330) is not available.
What is the SMILES notation for CID 10919330?
The canonical SMILES for CID 10919330 is F[B-](F)(F)F.F[B-](F)(F)F.[C-]#[O+].[C-]#[O+].[CH]1[CH][C]2C=CC=C[C]2[CH]1.[CH]1[CH][C]2C=CC=C[C]2[CH]1.[W].
What is the InChIKey of CID 10919330?
The InChIKey is BRGLURPAZUVMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7.2CO.2BF4.W/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2;2*2-1(3,4)5;/h2*1-7H;;;;;/q;;;;2*-1;.
What are the key properties of CID 10919330?
CID 10919330 has a molecular weight of 643.78 g/mol, XLogP of 6.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10919330 is sourced from PubChem (CID 10919330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).