4,4,4-Trifluoro-2-methylbutan-1-ol
TL;DR: 4,4,4-Trifluoro-2-methylbutan-1-ol (CAS 136655-98-6) is a chemical compound with molecular formula C5H9F3O and molecular weight 142.06055 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4,4-trifluoro-2-methylbutan-1-ol
Also Known As: 2-Methyl-4,4,4-trifluorobutanol, 4,4,4-trifluoro-2-methylbutan-1-ol, 2-Methyl-4,4,4-trifluorobutan-1-ol, 4,4,4-trifluoro-2-methyl-1-butanol, 1-Butanol,4,4,4-trifluoro-2-methyl-
Technical Specifications
| Molecular Formula | C5H9F3O |
| Molecular Weight | 142.06055 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 142.06055 Da |
| Heavy Atoms | 9 |
| Complexity | 78.0 |
| SMILES | CC(CC(F)(F)F)CO |
| InChIKey | SSXCXTKPQAFQAP-UHFFFAOYSA-N |
Chemical Property Profile of 4,4,4-Trifluoro-2-methylbutan-1-ol
Property Insights of 4,4,4-Trifluoro-2-methylbutan-1-ol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,4-Trifluoro-2-methylbutan-1-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 4,4,4-Trifluoro-2-methylbutan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trifluoro-2-methylbutan-1-ol has 1 hydrogen bond donor(s) and 4 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-2-methylbutan-1-ol?
The CAS number of 4,4,4-Trifluoro-2-methylbutan-1-ol is 136655-98-6.
What is the molecular formula of 4,4,4-Trifluoro-2-methylbutan-1-ol?
The molecular formula of 4,4,4-Trifluoro-2-methylbutan-1-ol is C5H9F3O.
What is the molecular weight of 4,4,4-Trifluoro-2-methylbutan-1-ol?
The molecular weight of 4,4,4-Trifluoro-2-methylbutan-1-ol is 142.06055 g/mol.
Where can I buy 4,4,4-Trifluoro-2-methylbutan-1-ol?
You can request a quote for 4,4,4-Trifluoro-2-methylbutan-1-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4,4-Trifluoro-2-methylbutan-1-ol?
Yes, CoreyChem provides custom synthesis services for 4,4,4-Trifluoro-2-methylbutan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.