TL;DR: Hydantoin, 3-(3-chloro-4-fluorophenyl)-5,5-dimethyl- (CAS 70842-03-4) is a chemical compound with molecular formula C11H10ClFN2O2 and molecular weight 256.04147 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-chloro-4-fluorophenyl)-5,5-dimethylimidazolidine-2,4-dione
Also Known As: Hydantoin, 3-(3-chloro-4-fluorophenyl)-5,5-dimethyl-, 3-(3-Chloro-4-fluorophenyl)-5,5-dimethylhydantoin, 5-24-05-00356 (Beilstein Handbook Reference), 3-(3-Chlor-4-fluor-phenyl)-5,5-dimethyl-hydantoin, 3-(3-Chlor-4-fluor-phenyl)-5,5-dimethyl-hydantoin [German]
| Molecular Formula | C11H10ClFN2O2 |
| Molecular Weight | 256.04147 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.04147 Da |
| Heavy Atoms | 17 |
| Complexity | 361.0 |
| SMILES | CC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)F)Cl)C |
| InChIKey | KXJGSEHRBVEMQL-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydantoin, 3-(3-chloro-4-fluorophenyl)-5,5-dimethyl-. With a topological polar surface area (TPSA) of 49.4 Ų, Hydantoin, 3-(3-chloro-4-fluorophenyl)-5,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydantoin, 3-(3-chloro-4-fluorophenyl)-5,5-dimethyl- has 1 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 Hydantoin, 3-(3-chloro-4-fluorophenyl)-5,5-dimethyl- is 70842-03-4.
The molecular formula of Hydantoin, 3-(3-chloro-4-fluorophenyl)-5,5-dimethyl- is C11H10ClFN2O2.
The molecular weight of Hydantoin, 3-(3-chloro-4-fluorophenyl)-5,5-dimethyl- is 256.04147 g/mol.
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