About [1-(4-fluorophenyl)cyclopropyl]phosphane
[1-(4-fluorophenyl)cyclopropyl]phosphane (PubChem CID 176989179) has the molecular formula C9H10FP
and a molecular weight of 168.15 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclopropyl]phosphane.
Molecular Properties
| Compound Name | [1-(4-fluorophenyl)cyclopropyl]phosphane |
| PubChem CID | 176989179 |
| Molecular Formula | C9H10FP |
| Molecular Weight | 168.15 g/mol |
| Exact Mass | 168.05 |
| IUPAC Name | [1-(4-fluorophenyl)cyclopropyl]phosphane |
| SMILES | Fc1ccc(C2(P)CC2)cc1 |
| InChI | InChI=1S/C9H10FP/c10-8-3-1-7(2-4-8)9(11)5-6-9/h1-4H,5-6,11H2 |
| InChIKey | RPTSEVRMDFTZMJ-UHFFFAOYSA-N |
| XLogP | 2.69 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 1 |
| Heavy Atoms | 11 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 168.15 |
| LogP ≤ 5 | 2.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [1-(4-fluorophenyl)cyclopropyl]phosphane?
The IUPAC name of [1-(4-fluorophenyl)cyclopropyl]phosphane (CID 176989179) is [1-(4-fluorophenyl)cyclopropyl]phosphane.
What is the SMILES notation for [1-(4-fluorophenyl)cyclopropyl]phosphane?
The canonical SMILES for [1-(4-fluorophenyl)cyclopropyl]phosphane is Fc1ccc(C2(P)CC2)cc1.
What is the InChIKey of [1-(4-fluorophenyl)cyclopropyl]phosphane?
The InChIKey is RPTSEVRMDFTZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FP/c10-8-3-1-7(2-4-8)9(11)5-6-9/h1-4H,5-6,11H2.
What are the key properties of [1-(4-fluorophenyl)cyclopropyl]phosphane?
[1-(4-fluorophenyl)cyclopropyl]phosphane has a molecular weight of 168.15 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)cyclopropyl]phosphane is sourced from PubChem (CID 176989179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).