1,1,1,7,7,7-Hexafluoro-4-methyl-2,6-bis(trifluoromethyl)-3-heptene-2,6-diol
TL;DR: 1,1,1,7,7,7-Hexafluoro-4-methyl-2,6-bis(trifluoromethyl)-3-heptene-2,6-diol (CAS 756-91-2) is a chemical compound with molecular formula C10H8F12O2 and molecular weight 388.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,7,7,7-hexafluoro-4-methyl-2,6-bis(trifluoromethyl)hept-3-ene-2,6-diol
Also Known As: (E)-1,1,1,7,7,7-hexafluoro-4-methyl-2,6-bis(trifluoromethyl), 1,1,1,7,7,7-Hexafluoro-4-methyl-2,6-bis(trifluoromethyl)-3-heptene-2,6-diol, 1,1,1,7,7,7-hexafluoro-4-methyl-2,6-bis(trifluoromethyl)hept-3-ene-2,6-diol, 3-Heptene-2,6-diol,1,1,1,7,7,7-hexafluoro-4-methyl-2,6-bis(trifluoromethyl)-
| Molecular Formula | C10H8F12O2 |
|---|---|
| Molecular Weight | 388.03 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.03326 |
| Heavy Atoms | 24 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 756-91-2 |
|---|---|
| SMILES | CC(=CC(C(F)(F)F)(C(F)(F)F)O)CC(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | PTHJGFDUQRGSRD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1,7,7,7-Hexafluoro-4-methyl-2,6-bis(trifluoromethyl)-3-heptene-2,6-diol (CAS 756-91-2), with molecular formula C10H8F12O2 and molecular weight 388.03 g/mol. IUPAC: 1,1,1,7,7,7-hexafluoro-4-methyl-2,6-bis(trifluoromethyl)hept-3-ene-2,6-diol.
Chemical Property Profile of 1,1,1,7,7,7-Hexafluoro-4-methyl-2,6-bis(trifluoromethyl)-3-heptene-2,6-diol
Property Insights of 1,1,1,7,7,7-Hexafluoro-4-methyl-2,6-bis(trifluoromethyl)-3-heptene-2,6-diol
The XLogP value of 4.4 indicates that 1,1,1,7,7,7-Hexafluoro-4-methyl-2,6-bis(trifluoromethyl)-3-heptene-2,6-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 1,1,1,7,7,7-Hexafluoro-4-methyl-2,6-bis(trifluoromethyl)-3-heptene-2,6-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,7,7,7-Hexafluoro-4-methyl-2,6-bis(trifluoromethyl)-3-heptene-2,6-diol has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1,1,7,7,7-Hexafluoro-4-methyl-2,6-bis(trifluoromethyl)-3-heptene-2,6-diol?
The CAS number of 1,1,1,7,7,7-Hexafluoro-4-methyl-2,6-bis(trifluoromethyl)-3-heptene-2,6-diol is 756-91-2.
What is the molecular formula of 1,1,1,7,7,7-Hexafluoro-4-methyl-2,6-bis(trifluoromethyl)-3-heptene-2,6-diol?
The molecular formula of 1,1,1,7,7,7-Hexafluoro-4-methyl-2,6-bis(trifluoromethyl)-3-heptene-2,6-diol is C10H8F12O2.
What is the molecular weight of 1,1,1,7,7,7-Hexafluoro-4-methyl-2,6-bis(trifluoromethyl)-3-heptene-2,6-diol?
The molecular weight of 1,1,1,7,7,7-Hexafluoro-4-methyl-2,6-bis(trifluoromethyl)-3-heptene-2,6-diol is 388.03 g/mol.
Where can I buy 1,1,1,7,7,7-Hexafluoro-4-methyl-2,6-bis(trifluoromethyl)-3-heptene-2,6-diol?
You can request a quote for 1,1,1,7,7,7-Hexafluoro-4-methyl-2,6-bis(trifluoromethyl)-3-heptene-2,6-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,7,7,7-Hexafluoro-4-methyl-2,6-bis(trifluoromethyl)-3-heptene-2,6-diol?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,7,7,7-Hexafluoro-4-methyl-2,6-bis(trifluoromethyl)-3-heptene-2,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.