About fluorocyclooctatetraene
fluorocyclooctatetraene (PubChem CID 22627843) has the molecular formula C8H7F
and a molecular weight of 122.14 g/mol. Its IUPAC name is fluorocyclooctatetraene.
Molecular Properties
| Compound Name | fluorocyclooctatetraene |
|---|
| PubChem CID | 22627843 |
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| Molecular Formula | C8H7F |
|---|
| Molecular Weight | 122.14 g/mol |
|---|
| Exact Mass | 122.05 |
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| IUPAC Name | fluorocyclooctatetraene |
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| SMILES | FC1=C/C=C\C=C/C=C\1 |
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| InChI | InChI=1S/C8H7F/c9-8-6-4-2-1-3-5-7-8/h1-7H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6+,8-7+ |
|---|
| InChIKey | MITQXVFUTKIVSZ-NPLFUSBWSA-N |
|---|
| XLogP | 2.52 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 122.14 |
| LogP ≤ 5 | 2.52 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of fluorocyclooctatetraene?
The IUPAC name of fluorocyclooctatetraene (CID 22627843) is fluorocyclooctatetraene.
What is the SMILES notation for fluorocyclooctatetraene?
The canonical SMILES for fluorocyclooctatetraene is FC1=C/C=C\C=C/C=C\1.
What is the InChIKey of fluorocyclooctatetraene?
The InChIKey is MITQXVFUTKIVSZ-NPLFUSBWSA-N. The full InChI is InChI=1S/C8H7F/c9-8-6-4-2-1-3-5-7-8/h1-7H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6+,8-7+.
What are the key properties of fluorocyclooctatetraene?
fluorocyclooctatetraene has a molecular weight of 122.14 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluorocyclooctatetraene is sourced from PubChem (CID 22627843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).