TL;DR: 2-Iodo-3,3,3-trifluoropropene (CAS 107070-09-7) is a chemical compound with molecular formula C3H2F3I and molecular weight 221.91533 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3,3-trifluoro-2-iodoprop-1-ene
Also Known As: 2-Iodo-3,3,3-trifluoropropene, 3,3,3-trifluoro-2-iodoprop-1-ene, 1-Propene,3,3,3-trifluoro-2-iodo-, 3,3,3-trifluoro-2-iodo-1-propene, 3,3,3-Trifluoro-2-iodopropene
| Molecular Formula | C3H2F3I |
| Molecular Weight | 221.91533 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 221.91533 Da |
| Heavy Atoms | 7 |
| Complexity | 82.0 |
| SMILES | C=C(C(F)(F)F)I |
| InChIKey | LHRSMHZCHIDYBT-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Iodo-3,3,3-trifluoropropene. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Iodo-3,3,3-trifluoropropene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Iodo-3,3,3-trifluoropropene 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 2-Iodo-3,3,3-trifluoropropene is 107070-09-7.
The molecular formula of 2-Iodo-3,3,3-trifluoropropene is C3H2F3I.
The molecular weight of 2-Iodo-3,3,3-trifluoropropene is 221.91533 g/mol.
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