3-Bromo-1,1,1-trifluorobutan-2-ol
TL;DR: 3-Bromo-1,1,1-trifluorobutan-2-ol (CAS 382-00-3) is a chemical compound with molecular formula C4H6BrF3O and molecular weight 205.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-1,1,1-trifluorobutan-2-ol
Also Known As: 3-bromo-1,1,1-trifluorobutan-2-ol, 3-bromo-1,1,1-trifluoro-2-butanol, 3-bromo-1,1,1-trifluoro-butan-2-ol, 3-Bromo-2-hydroxy-1,1,1-trifluorobutane
| Molecular Formula | C4H6BrF3O |
|---|---|
| Molecular Weight | 205.96 g/mol |
| LogP | 1.693 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.95541 |
| Heavy Atoms | 9 |
| Complexity | 90.303764 |
Chemical Identifiers
| CAS Number | 382-00-3 |
|---|---|
| SMILES | CC(C(C(F)(F)F)O)Br |
Product Overview
3-Bromo-1,1,1-trifluorobutan-2-ol (CAS 382-00-3), with molecular formula C4H6BrF3O and molecular weight 205.96 g/mol. IUPAC: 3-bromo-1,1,1-trifluorobutan-2-ol.
Chemical Property Profile of 3-Bromo-1,1,1-trifluorobutan-2-ol
Property Insights of 3-Bromo-1,1,1-trifluorobutan-2-ol
The XLogP value of 1.693 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-1,1,1-trifluorobutan-2-ol. With a topological polar surface area (TPSA) of 20.23 Ų, 3-Bromo-1,1,1-trifluorobutan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-1,1,1-trifluorobutan-2-ol has 1 hydrogen bond donor(s) and 1 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 3-Bromo-1,1,1-trifluorobutan-2-ol?
The CAS number of 3-Bromo-1,1,1-trifluorobutan-2-ol is 382-00-3.
What is the molecular formula of 3-Bromo-1,1,1-trifluorobutan-2-ol?
The molecular formula of 3-Bromo-1,1,1-trifluorobutan-2-ol is C4H6BrF3O.
What is the molecular weight of 3-Bromo-1,1,1-trifluorobutan-2-ol?
The molecular weight of 3-Bromo-1,1,1-trifluorobutan-2-ol is 205.96 g/mol.
Where can I buy 3-Bromo-1,1,1-trifluorobutan-2-ol?
You can request a quote for 3-Bromo-1,1,1-trifluorobutan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-1,1,1-trifluorobutan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1,1,1-trifluorobutan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.