TL;DR: 3-Fluorostyrene (CAS 350-51-6) is a chemical compound with molecular formula C8H7F and molecular weight 122.05318 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethenyl-3-fluorobenzene
Also Known As: 3-Fluorostyrene, 1-Fluoro-3-vinylbenzene, 1-ethenyl-3-fluorobenzene, m-Fluorostyrene, Benzene, 1-ethenyl-3-fluoro-
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H7F |
| Molecular Weight | 122.05318 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 122.05318 Da |
| Heavy Atoms | 9 |
| Complexity | 98.0 |
| SMILES | C=CC1=CC(=CC=C1)F |
| InChIKey | ZJSKEGAHBAHFON-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 3-Fluorostyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Fluorostyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluorostyrene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Fluorostyrene is 350-51-6.
The molecular formula of 3-Fluorostyrene is C8H7F.
The molecular weight of 3-Fluorostyrene is 122.05318 g/mol.
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