TL;DR: Bicyclo[2.2.1]hept-2-ene, 5,5,6-trifluoro-6-(heptafluoropropoxy)- (CAS 154717-36-9) is a chemical compound with molecular formula C10H6F10O and molecular weight 332.0259 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,5,6-trifluoro-6-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]hept-2-ene
Also Known As: Bicyclo[2.2.1]hept-2-ene, 5,5,6-trifluoro-6-(heptafluoropropoxy)-, J2.440.692J, 2,2,3-Trifluoro-3-heptafluoropropoxybicyclo[2.2.1]-hept-5-ene, 2,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]hept-5-ene, 5,5,6-Trifluoro-6-(heptafluoropropoxy)bicyclo[2.2.1]hept-2-ene
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H6F10O |
| Molecular Weight | 332.0259 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.0259 Da |
| Heavy Atoms | 21 |
| Complexity | 467.0 |
| SMILES | C1C2C=CC1C(C2(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F |
| InChIKey | JZEKVGIWHZEUSP-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that Bicyclo[2.2.1]hept-2-ene, 5,5,6-trifluoro-6-(heptafluoropropoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Bicyclo[2.2.1]hept-2-ene, 5,5,6-trifluoro-6-(heptafluoropropoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[2.2.1]hept-2-ene, 5,5,6-trifluoro-6-(heptafluoropropoxy)- has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Bicyclo[2.2.1]hept-2-ene, 5,5,6-trifluoro-6-(heptafluoropropoxy)- is 154717-36-9.
The molecular formula of Bicyclo[2.2.1]hept-2-ene, 5,5,6-trifluoro-6-(heptafluoropropoxy)- is C10H6F10O.
The molecular weight of Bicyclo[2.2.1]hept-2-ene, 5,5,6-trifluoro-6-(heptafluoropropoxy)- is 332.0259 g/mol.
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