4,4,4-Trifluorobutan-1-ol
TL;DR: 4,4,4-Trifluorobutan-1-ol (CAS 381-88-4) is a chemical compound with molecular formula C(CC(F)(F)F)CO and molecular weight 128.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluorobutan-1-ol
Also Known As: 4,4,4-Trifluoro-1-butanol, 4,4,4-trifluorobutan-1-ol, 4,4,4-Trifluorobutanol, 4,4,4-trifluoro-butan-1-ol, 4,4,4-trifluorobutanol-1
| Molecular Formula | C(CC(F)(F)F)CO |
|---|---|
| Molecular Weight | 128.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 128.0449 |
| Heavy Atoms | 8 |
| Complexity | 58.0 |
Chemical Identifiers
| CAS Number | 381-88-4 |
|---|---|
| SMILES | C(CC(F)(F)F)CO |
| InChIKey | VKRFUGHXKNNIJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4,4-Trifluorobutan-1-ol (CAS 381-88-4), with molecular formula C(CC(F)(F)F)CO and molecular weight 128.04 g/mol. IUPAC: 4,4,4-trifluorobutan-1-ol.
Chemical Property Profile of 4,4,4-Trifluorobutan-1-ol
Property Insights of 4,4,4-Trifluorobutan-1-ol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,4-Trifluorobutan-1-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 4,4,4-Trifluorobutan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trifluorobutan-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
Frequently Asked Questions
What is the CAS number of 4,4,4-Trifluorobutan-1-ol?
The CAS number of 4,4,4-Trifluorobutan-1-ol is 381-88-4.
What is the molecular formula of 4,4,4-Trifluorobutan-1-ol?
The molecular formula of 4,4,4-Trifluorobutan-1-ol is C(CC(F)(F)F)CO.
What is the molecular weight of 4,4,4-Trifluorobutan-1-ol?
The molecular weight of 4,4,4-Trifluorobutan-1-ol is 128.04 g/mol.
Where can I buy 4,4,4-Trifluorobutan-1-ol?
You can request a quote for 4,4,4-Trifluorobutan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,4-Trifluorobutan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trifluorobutan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.