4,4,4-Trifluoro-1-(furan-2-yl)-3-(trifluoromethyl)butane-1,3-diol
TL;DR: 4,4,4-Trifluoro-1-(furan-2-yl)-3-(trifluoromethyl)butane-1,3-diol (CAS 100991-87-5) is a chemical compound with molecular formula C9H8F6O3 and molecular weight 278.03775 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4,4-trifluoro-1-(furan-2-yl)-3-(trifluoromethyl)butane-1,3-diol
Also Known As: 4,4,4-trifluoro-1-(furan-2-yl)-3-(trifluoromethyl)butane-1,3-diol, 1,3-BUTANEDIOL, 1-(2-FURYL)-4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL-, alpha-(2-Hydroxy-3,3,3-trifluoro-2-trifluoromethylpropyl)-2-furanmethanol, alpha-(2-Hydroxy-3,3,3-trifluoro-2-trifluoromethylpropyl)furfuryl alcohol, Furfuryl alcohol, alpha-(2-hydroxy-3,3,3-trifluoro-2-trifluoromethylpropyl)-
Technical Specifications
| Molecular Formula | C9H8F6O3 |
| Molecular Weight | 278.03775 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.03775 Da |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
| SMILES | C1=COC(=C1)C(CC(C(F)(F)F)(C(F)(F)F)O)O |
| InChIKey | GTTCBZHGVSTRQO-UHFFFAOYSA-N |
Chemical Property Profile of 4,4,4-Trifluoro-1-(furan-2-yl)-3-(trifluoromethyl)butane-1,3-diol
Property Insights of 4,4,4-Trifluoro-1-(furan-2-yl)-3-(trifluoromethyl)butane-1,3-diol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,4-Trifluoro-1-(furan-2-yl)-3-(trifluoromethyl)butane-1,3-diol. With a topological polar surface area (TPSA) of 53.6 Ų, 4,4,4-Trifluoro-1-(furan-2-yl)-3-(trifluoromethyl)butane-1,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trifluoro-1-(furan-2-yl)-3-(trifluoromethyl)butane-1,3-diol has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,4,4-Trifluoro-1-(furan-2-yl)-3-(trifluoromethyl)butane-1,3-diol?
The CAS number of 4,4,4-Trifluoro-1-(furan-2-yl)-3-(trifluoromethyl)butane-1,3-diol is 100991-87-5.
What is the molecular formula of 4,4,4-Trifluoro-1-(furan-2-yl)-3-(trifluoromethyl)butane-1,3-diol?
The molecular formula of 4,4,4-Trifluoro-1-(furan-2-yl)-3-(trifluoromethyl)butane-1,3-diol is C9H8F6O3.
What is the molecular weight of 4,4,4-Trifluoro-1-(furan-2-yl)-3-(trifluoromethyl)butane-1,3-diol?
The molecular weight of 4,4,4-Trifluoro-1-(furan-2-yl)-3-(trifluoromethyl)butane-1,3-diol is 278.03775 g/mol.
Where can I buy 4,4,4-Trifluoro-1-(furan-2-yl)-3-(trifluoromethyl)butane-1,3-diol?
You can request a quote for 4,4,4-Trifluoro-1-(furan-2-yl)-3-(trifluoromethyl)butane-1,3-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4,4-Trifluoro-1-(furan-2-yl)-3-(trifluoromethyl)butane-1,3-diol?
Yes, CoreyChem provides custom synthesis services for 4,4,4-Trifluoro-1-(furan-2-yl)-3-(trifluoromethyl)butane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.