TL;DR: 1-Propene, 1-bromo-3,3,3-trifluoro- (CAS 149597-48-8) is a chemical compound with molecular formula C3H2BrF3 and molecular weight 173.9292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromo-3,3,3-trifluoroprop-1-ene
Also Known As: bromotrifluoropropene, 1-bromo-3,3,3-trifluoroprop-1-ene, sNpBAbFPl`yAIVij`d`, 1-Propene, 1-bromo-3,3,3-trifluoro-, 1-bromo-3,3,3-trifluoropropene
| Molecular Formula | C3H2BrF3 |
| Molecular Weight | 173.9292 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.9292 Da |
| Heavy Atoms | 7 |
| Complexity | 72.0 |
| SMILES | C(=CBr)C(F)(F)F |
| InChIKey | XRZHWZVROHBBAM-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propene, 1-bromo-3,3,3-trifluoro-. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Propene, 1-bromo-3,3,3-trifluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propene, 1-bromo-3,3,3-trifluoro- has 0 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 1-Propene, 1-bromo-3,3,3-trifluoro- is 149597-48-8.
The molecular formula of 1-Propene, 1-bromo-3,3,3-trifluoro- is C3H2BrF3.
The molecular weight of 1-Propene, 1-bromo-3,3,3-trifluoro- is 173.9292 g/mol.
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