TL;DR: 3-Fluorobenzidine (CAS 108543-17-5) is a chemical compound with molecular formula C12H11FN2 and molecular weight 202.09062 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-aminophenyl)-2-fluoroaniline
Also Known As: 3-Fluorobenzidine, 4-(4-aminophenyl)-2-fluoroaniline, 3-fluorobiphenyl-4,4'-diamine, 3-Fluoro-(1,1'-biphenyl)-4,4'-diamine, (1,1'-BIPHENYL)-4,4'-DIAMINE, 3-FLUORO-
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H11FN2 |
| Molecular Weight | 202.09062 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.09062 Da |
| Heavy Atoms | 15 |
| Complexity | 202.0 |
| SMILES | C1=CC(=CC=C1C2=CC(=C(C=C2)N)F)N |
| InChIKey | UPJLEUXHPQVGHI-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluorobenzidine. With a topological polar surface area (TPSA) of 52.0 Ų, 3-Fluorobenzidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluorobenzidine has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Fluorobenzidine is 108543-17-5.
The molecular formula of 3-Fluorobenzidine is C12H11FN2.
The molecular weight of 3-Fluorobenzidine is 202.09062 g/mol.
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