TL;DR: Diphenyltris(2,2,2-trifluoroethoxy)phosphorane (CAS 76943-21-0) is a chemical compound with molecular formula C18H16F9O3P and molecular weight 482.06934 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diphenyl-tris(2,2,2-trifluoroethoxy)-λ5-phosphane
Also Known As: DIPHENYLTRIS(2,2,2-TRIFLUOROETHOXY)PHOSPHORANE, diphenyl-tris(2,2,2-trifluoroethoxy)-, Tris(2,2,2-trifluoroethoxy)diphenylphosphorane, diphenyltris(2,2,2-trifluoroethoxy)-lambda5-phosphane, Diphenyltris(2,2,2-trifluoroethoxy)-lambda~5~-phosphane
| Molecular Formula | C18H16F9O3P |
| Molecular Weight | 482.06934 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 482.06934 Da |
| Heavy Atoms | 31 |
| Complexity | 495.0 |
| SMILES | C1=CC=C(C=C1)P(C2=CC=CC=C2)(OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F |
| InChIKey | DWTSWVRZCKADJL-UHFFFAOYSA-N |
The XLogP value of 6.6 indicates that Diphenyltris(2,2,2-trifluoroethoxy)phosphorane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, Diphenyltris(2,2,2-trifluoroethoxy)phosphorane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diphenyltris(2,2,2-trifluoroethoxy)phosphorane has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Diphenyltris(2,2,2-trifluoroethoxy)phosphorane is 76943-21-0.
The molecular formula of Diphenyltris(2,2,2-trifluoroethoxy)phosphorane is C18H16F9O3P.
The molecular weight of Diphenyltris(2,2,2-trifluoroethoxy)phosphorane is 482.06934 g/mol.
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