3,3,4,4-Tetrafluoro-1-butanol
TL;DR: 3,3,4,4-Tetrafluoro-1-butanol (CAS 5926-87-4) is a chemical compound with molecular formula C4H6F4O and molecular weight 146.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,4,4-tetrafluorobutan-1-ol
Also Known As: 3,3,4,4-tetrafluorobutan-1-ol, 3,3,4,4-Tetrafluoro-1-butanol, 1-Butanol, 3,3,4,4-tetrafluoro-
| Molecular Formula | C4H6F4O |
|---|---|
| Molecular Weight | 146.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 146.03548 |
| Heavy Atoms | 9 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 5926-87-4 |
|---|---|
| SMILES | C(CO)C(C(F)F)(F)F |
| InChIKey | ISIBHDNEXXBQIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3,4,4-Tetrafluoro-1-butanol (CAS 5926-87-4), with molecular formula C4H6F4O and molecular weight 146.04 g/mol. IUPAC: 3,3,4,4-tetrafluorobutan-1-ol.
Chemical Property Profile of 3,3,4,4-Tetrafluoro-1-butanol
Property Insights of 3,3,4,4-Tetrafluoro-1-butanol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,4,4-Tetrafluoro-1-butanol. With a topological polar surface area (TPSA) of 20.2 Ų, 3,3,4,4-Tetrafluoro-1-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,4,4-Tetrafluoro-1-butanol has 1 hydrogen bond donor(s) and 5 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 3,3,4,4-Tetrafluoro-1-butanol?
The CAS number of 3,3,4,4-Tetrafluoro-1-butanol is 5926-87-4.
What is the molecular formula of 3,3,4,4-Tetrafluoro-1-butanol?
The molecular formula of 3,3,4,4-Tetrafluoro-1-butanol is C4H6F4O.
What is the molecular weight of 3,3,4,4-Tetrafluoro-1-butanol?
The molecular weight of 3,3,4,4-Tetrafluoro-1-butanol is 146.04 g/mol.
Where can I buy 3,3,4,4-Tetrafluoro-1-butanol?
You can request a quote for 3,3,4,4-Tetrafluoro-1-butanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,4,4-Tetrafluoro-1-butanol?
Yes, KEHONG BIO provides custom synthesis services for 3,3,4,4-Tetrafluoro-1-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.