About CID 174110855
CID 174110855 (PubChem CID 174110855) has the molecular formula C14H10B3F
and a molecular weight of 229.67 g/mol.
Molecular Properties
| Compound Name | CID 174110855 |
|---|
| PubChem CID | 174110855 |
|---|
| Molecular Formula | C14H10B3F |
|---|
| Molecular Weight | 229.67 g/mol |
|---|
| Exact Mass | 230.10 |
|---|
| IUPAC Name | — |
|---|
| SMILES | [B]C([B])([B])c1cccc(-c2cccc(C)c2F)c1 |
|---|
| InChI | InChI=1S/C14H10B3F/c1-9-4-2-7-12(13(9)18)10-5-3-6-11(8-10)14(15,16)17/h2-8H,1H3 |
|---|
| InChIKey | BXNFYMNRHDDJMV-UHFFFAOYSA-N |
|---|
| XLogP | 2.42 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
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| Rotatable Bonds | 2 |
|---|
| Heavy Atoms | 18 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 229.67 |
| LogP ≤ 5 | 2.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of CID 174110855?
The IUPAC name of CID 174110855 (CID 174110855) is not available.
What is the SMILES notation for CID 174110855?
The canonical SMILES for CID 174110855 is [B]C([B])([B])c1cccc(-c2cccc(C)c2F)c1.
What is the InChIKey of CID 174110855?
The InChIKey is BXNFYMNRHDDJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10B3F/c1-9-4-2-7-12(13(9)18)10-5-3-6-11(8-10)14(15,16)17/h2-8H,1H3.
What are the key properties of CID 174110855?
CID 174110855 has a molecular weight of 229.67 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174110855 is sourced from PubChem (CID 174110855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).