TL;DR: N-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide (CAS 103831-27-2) is a chemical compound with molecular formula C7H13F3N2O and molecular weight 198.09799 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide
Also Known As: N-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide, N-[3-(Dimethylamino)propyl]-perfluoroacetamide, N-dimethyl ammonio propyl-perfluoroethane amide, N-(3-dimethylaminopropyl)-2,2,2-trifluoro-acetamide, perfluoroalkane amido betaine propyl n-dimethyl amine (Simon), perfluoroalkylamido betaine-related, perfluoroalkane amido propyl dimethyl amine
| Molecular Formula | C7H13F3N2O |
| Molecular Weight | 198.09799 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.09799 Da |
| Heavy Atoms | 13 |
| Complexity | 168.0 |
| SMILES | CN(C)CCCNC(=O)C(F)(F)F |
| InChIKey | FCYYNALTLZDPAJ-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide. With a topological polar surface area (TPSA) of 32.3 Ų, N-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide is 103831-27-2.
The molecular formula of N-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide is C7H13F3N2O.
The molecular weight of N-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide is 198.09799 g/mol.
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