TL;DR: 2,2,3,3,3-Pentafluoropropyl 3-(aziridin-1-yl)propanoate (CAS 24116-27-6) is a chemical compound with molecular formula C8H10F5NO2 and molecular weight 247.06317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,3,3,3-pentafluoropropyl 3-(aziridin-1-yl)propanoate
Also Known As: 2,2,3,3,3-pentafluoropropyl 3-(aziridin-1-yl)propanoate, 1-AZIRIDINEPROPIONIC ACID, 2,2,3,3,3-PENTAFLUOROPROPYL ESTER, 1-Aziridinepropanoic acid, 2,2,3,3,3-pentafluoropropyl ester, 3-(1-Aziridinyl)propionic acid 2,2,3,3,3-pentafluoropropyl ester, 1-Aziridinepropionic acid 2,2,3,3,3-pentafluoropropyl ester
| Molecular Formula | C8H10F5NO2 |
| Molecular Weight | 247.06317 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 29.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 247.06317 Da |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
| SMILES | C1CN1CCC(=O)OCC(C(F)(F)F)(F)F |
| InChIKey | AFJDBZRJNZQTNO-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,3,3,3-Pentafluoropropyl 3-(aziridin-1-yl)propanoate. With a topological polar surface area (TPSA) of 29.3 Ų, 2,2,3,3,3-Pentafluoropropyl 3-(aziridin-1-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,3,3,3-Pentafluoropropyl 3-(aziridin-1-yl)propanoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,2,3,3,3-Pentafluoropropyl 3-(aziridin-1-yl)propanoate is 24116-27-6.
The molecular formula of 2,2,3,3,3-Pentafluoropropyl 3-(aziridin-1-yl)propanoate is C8H10F5NO2.
The molecular weight of 2,2,3,3,3-Pentafluoropropyl 3-(aziridin-1-yl)propanoate is 247.06317 g/mol.
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