TL;DR: 1,4-Epoxy-2-formamido 1,2,3,4-tetrahydro-6-trifluoromethylnaphthalene (CAS 134254-13-0) is a chemical compound with molecular formula C12H10F3NO2 and molecular weight 257.06638 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(1S,8S,9R)-4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-yl]formamide
Also Known As: 1-Efttn, 1,4-Epoxy-2-formamido 1,2,3,4-tetrahydro-6-trifluoromethylnaphthalene, N-[(1S,8S,9R)-4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-yl]formamide, [6-(Trifluoromethyl)-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]methanimidic acid, [(1S,2R,4S)-6-(Trifluoromethyl)-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]methanimidic acid
| Molecular Formula | C12H10F3NO2 |
| Molecular Weight | 257.06638 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.06638 Da |
| Heavy Atoms | 18 |
| Complexity | 347.0 |
| SMILES | C1[C@H]([C@@H]2C3=C([C@H]1O2)C=C(C=C3)C(F)(F)F)NC=O |
| InChIKey | GOFQAGIWPPBUPI-VWYCJHECSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Epoxy-2-formamido 1,2,3,4-tetrahydro-6-trifluoromethylnaphthalene. With a topological polar surface area (TPSA) of 38.3 Ų, 1,4-Epoxy-2-formamido 1,2,3,4-tetrahydro-6-trifluoromethylnaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Epoxy-2-formamido 1,2,3,4-tetrahydro-6-trifluoromethylnaphthalene 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 1,4-Epoxy-2-formamido 1,2,3,4-tetrahydro-6-trifluoromethylnaphthalene is 134254-13-0.
The molecular formula of 1,4-Epoxy-2-formamido 1,2,3,4-tetrahydro-6-trifluoromethylnaphthalene is C12H10F3NO2.
The molecular weight of 1,4-Epoxy-2-formamido 1,2,3,4-tetrahydro-6-trifluoromethylnaphthalene is 257.06638 g/mol.
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