TL;DR: Bis(3,5-di(trifluoromethyl)phenyl)chlorophosphine (CAS 142421-57-6) is a chemical compound with molecular formula C16H6ClF12P and molecular weight 491.9704 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis[3,5-bis(trifluoromethyl)phenyl]-chlorophosphane
Also Known As: Bis(3,5-di(trifluoromethyl)phenyl)chlorophosphine, Bis(3,5-bis(trifluoromethyl)phenyl)chlorophosphane, bis[3,5-bis(trifluoromethyl)phenyl]-chlorophosphane, Bis[3,5-bis(trifluoromethyl)phenyl]-chloro-phosphane, Bis[3,5-bis(trifluoromethyl)phenyl]chlorophosphine
| Molecular Formula | C16H6ClF12P |
| Molecular Weight | 491.9704 g/mol |
| XLogP | 7.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 2 |
| Exact Mass | 491.9704 Da |
| Heavy Atoms | 30 |
| Complexity | 487.0 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)P(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Cl)C(F)(F)F |
| InChIKey | DFZQEHBNAJGDCT-UHFFFAOYSA-N |
The XLogP value of 7.4 indicates that Bis(3,5-di(trifluoromethyl)phenyl)chlorophosphine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Bis(3,5-di(trifluoromethyl)phenyl)chlorophosphine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(3,5-di(trifluoromethyl)phenyl)chlorophosphine has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Bis(3,5-di(trifluoromethyl)phenyl)chlorophosphine is 142421-57-6.
The molecular formula of Bis(3,5-di(trifluoromethyl)phenyl)chlorophosphine is C16H6ClF12P.
The molecular weight of Bis(3,5-di(trifluoromethyl)phenyl)chlorophosphine is 491.9704 g/mol.
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