TL;DR: Benzene, 1-((3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropyl)methyl)-3-phenoxy-, (1alpha,3alpha(Z))- (CAS 110457-98-2) is a chemical compound with molecular formula C21H20ClF3O and molecular weight 380.11548 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methyl]-3-phenoxybenzene
Also Known As: Benzene, 1-((3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropyl)methyl)-3-phenoxy-, (1alpha,3alpha(Z))-, 1-[[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methyl]-3-phenoxybenzene
| Molecular Formula | C21H20ClF3O |
| Molecular Weight | 380.11548 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.11548 Da |
| Heavy Atoms | 26 |
| Complexity | 508.0 |
| SMILES | CC1([C@H]([C@H]1/C=C(/C(F)(F)F)\Cl)CC2=CC(=CC=C2)OC3=CC=CC=C3)C |
| InChIKey | FUINIOIEIZLAJY-JRBPOELQSA-N |
The XLogP value of 7.0 indicates that Benzene, 1-((3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropyl)methyl)-3-phenoxy-, (1alpha,3alpha(Z))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Benzene, 1-((3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropyl)methyl)-3-phenoxy-, (1alpha,3alpha(Z))- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-((3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropyl)methyl)-3-phenoxy-, (1alpha,3alpha(Z))- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzene, 1-((3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropyl)methyl)-3-phenoxy-, (1alpha,3alpha(Z))- is 110457-98-2.
The molecular formula of Benzene, 1-((3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropyl)methyl)-3-phenoxy-, (1alpha,3alpha(Z))- is C21H20ClF3O.
The molecular weight of Benzene, 1-((3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropyl)methyl)-3-phenoxy-, (1alpha,3alpha(Z))- is 380.11548 g/mol.
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