4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)-
TL;DR: 4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)- (CAS 94108-56-2) is a chemical compound with molecular formula C6H6F6O and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol
Also Known As: 1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol, 2-allylhexafluoroisopropanol, BTHB, allylhexafluoroisopropanol, allylhexafluoro-isopropanol
| Molecular Formula | C6H6F6O |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.03229 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 94108-56-2 |
|---|---|
| SMILES | C=CCC(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | VHSCQANAKTXZTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)- (CAS 94108-56-2), with molecular formula C6H6F6O and molecular weight 208.03 g/mol. IUPAC: 1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol.
Chemical Property Profile of 4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)-
Property Insights of 4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)-. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)- has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)-?
The CAS number of 4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)- is 94108-56-2.
What is the molecular formula of 4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)-?
The molecular formula of 4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)- is C6H6F6O.
What is the molecular weight of 4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)-?
The molecular weight of 4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)- is 208.03 g/mol.
Where can I buy 4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)-?
You can request a quote for 4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.