4,4,4-Trifluoro-1-phenylbutane-1,3-diol
TL;DR: 4,4,4-Trifluoro-1-phenylbutane-1,3-diol (CAS 130240-26-5) is a chemical compound with molecular formula C10H11F3O2 and molecular weight 220.07112 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4,4-trifluoro-1-phenylbutane-1,3-diol
Also Known As: 4,4,4-trifluoro-1-phenylbutane-1,3-diol, 4,4,4-trifluoro-1-phenyl-butane-1,3-diol, 4,4,4-Trifluoro-1-phenyl-1,3-butanediol, J1.078.038A
Technical Specifications
| Molecular Formula | C10H11F3O2 |
| Molecular Weight | 220.07112 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.07112 Da |
| Heavy Atoms | 15 |
| Complexity | 188.0 |
| SMILES | C1=CC=C(C=C1)C(CC(C(F)(F)F)O)O |
| InChIKey | XWWKWKRVRQENAP-UHFFFAOYSA-N |
Chemical Property Profile of 4,4,4-Trifluoro-1-phenylbutane-1,3-diol
Property Insights of 4,4,4-Trifluoro-1-phenylbutane-1,3-diol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,4-Trifluoro-1-phenylbutane-1,3-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 4,4,4-Trifluoro-1-phenylbutane-1,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trifluoro-1-phenylbutane-1,3-diol has 2 hydrogen bond donor(s) and 5 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-phenylbutane-1,3-diol?
The CAS number of 4,4,4-Trifluoro-1-phenylbutane-1,3-diol is 130240-26-5.
What is the molecular formula of 4,4,4-Trifluoro-1-phenylbutane-1,3-diol?
The molecular formula of 4,4,4-Trifluoro-1-phenylbutane-1,3-diol is C10H11F3O2.
What is the molecular weight of 4,4,4-Trifluoro-1-phenylbutane-1,3-diol?
The molecular weight of 4,4,4-Trifluoro-1-phenylbutane-1,3-diol is 220.07112 g/mol.
Where can I buy 4,4,4-Trifluoro-1-phenylbutane-1,3-diol?
You can request a quote for 4,4,4-Trifluoro-1-phenylbutane-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-phenylbutane-1,3-diol?
Yes, CoreyChem provides custom synthesis services for 4,4,4-Trifluoro-1-phenylbutane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.