About bromoethyne
bromoethyne (PubChem CID 18356620) has the molecular formula C2Br-
and a molecular weight of 103.93 g/mol. Its IUPAC name is bromoethyne.
Molecular Properties
| Compound Name | bromoethyne |
|---|
| PubChem CID | 18356620 |
|---|
| Molecular Formula | C2Br- |
|---|
| Molecular Weight | 103.93 g/mol |
|---|
| Exact Mass | 102.92 |
|---|
| IUPAC Name | bromoethyne |
|---|
| SMILES | [C-]#CBr |
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| InChI | InChI=1S/C2Br/c1-2-3/q-1 |
|---|
| InChIKey | COQAOQNCXXXVPI-UHFFFAOYSA-N |
|---|
| XLogP | 0.93 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 3 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 103.93 |
| LogP ≤ 5 | 0.93 |
| 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': 'triple_bond', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of bromoethyne?
The IUPAC name of bromoethyne (CID 18356620) is bromoethyne.
What is the SMILES notation for bromoethyne?
The canonical SMILES for bromoethyne is [C-]#CBr.
What is the InChIKey of bromoethyne?
The InChIKey is COQAOQNCXXXVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2Br/c1-2-3/q-1.
What are the key properties of bromoethyne?
bromoethyne has a molecular weight of 103.93 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromoethyne is sourced from PubChem (CID 18356620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).