TL;DR: RefChem:292996 (CAS 101913-84-2) is a chemical compound with molecular formula C11H12Cl2F10N2O2 and molecular weight 464.01163 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-6-[chloro(difluoro)methyl]-4-(dimethylhydrazinylidene)-1,1,7,7,7-pentafluoro-2-(trifluoromethyl)heptane-2,6-diol
Also Known As: 4-Heptanone, 2,6-bis(trifluoromethyl)-1,7-dichloro-2,6-dihydroxy-1,1,7,7-tetrafluoro-, dimethylhydrazone, 1-chloro-6-[chloro(difluoro)methyl]-4-(dimethylhydrazinylidene)-1,1,7,7,7-pentafluoro-2-(trifluoromethyl)heptane-2,6-diol, 1,7-DICHLORO-4-(2,2-DIMETHYLHYDRAZIN-1-YLIDENE)-1,1,7,7-TETRAFLUORO-2,6-BIS(TRIFLUOROMETHYL)HEPTANE-2,6-DIOL, 1-Chloro-6-[chlorodi(fluoro)methyl]-4-(dimethylhydrazinylidene)-1,1,7,7,7-pentafluoro-2-(trifluoromethyl)heptane-2,6-diol, 2,6-Bis(trifluoromethyl)-1,7-dichloro-2,6-dihydroxy-1,1,7,7-tetrafluoro-4-heptanone dimethyl hydrazone
| Molecular Formula | C11H12Cl2F10N2O2 |
| Molecular Weight | 464.01163 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 56.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.01163 Da |
| Heavy Atoms | 27 |
| Complexity | 524.0 |
| SMILES | CN(C)N=C(CC(C(F)(F)F)(C(F)(F)Cl)O)CC(C(F)(F)F)(C(F)(F)Cl)O |
| InChIKey | UGRBDSWRUBGXPQ-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that RefChem:292996 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.1 Ų, RefChem:292996 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:292996 has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:292996 is 101913-84-2.
The molecular formula of RefChem:292996 is C11H12Cl2F10N2O2.
The molecular weight of RefChem:292996 is 464.01163 g/mol.
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