TL;DR: (1R-trans)-N,N'-1,2-Cyclohexanediylbis(perfluorobutanamide) (CAS 133964-60-0) is a chemical compound with molecular formula C14H12F14N2O2 and molecular weight 506.06754 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide
Also Known As: (1R-trans)-N,N'-1,2-Cyclohexanediylbis(perfluorobutanamide), J3.490.877J, 2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide, N,N -(Cyclohexane-1,2-diyl)bis(2,2,3,3,4,4,4-heptafluorobutanamide), 2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanamido)cyclohexyl]butanamide
| Molecular Formula | C14H12F14N2O2 |
| Molecular Weight | 506.06754 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 6 |
| Exact Mass | 506.06754 Da |
| Heavy Atoms | 32 |
| Complexity | 655.0 |
| SMILES | C1CCC(C(C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)NC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | BVPQBJMNLKHJNO-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that (1R-trans)-N,N'-1,2-Cyclohexanediylbis(perfluorobutanamide) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, (1R-trans)-N,N'-1,2-Cyclohexanediylbis(perfluorobutanamide) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R-trans)-N,N'-1,2-Cyclohexanediylbis(perfluorobutanamide) has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (1R-trans)-N,N'-1,2-Cyclohexanediylbis(perfluorobutanamide) is 133964-60-0.
The molecular formula of (1R-trans)-N,N'-1,2-Cyclohexanediylbis(perfluorobutanamide) is C14H12F14N2O2.
The molecular weight of (1R-trans)-N,N'-1,2-Cyclohexanediylbis(perfluorobutanamide) is 506.06754 g/mol.
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