3,3,4,4,4-Pentafluorobutan-1-ol
TL;DR: 3,3,4,4,4-Pentafluorobutan-1-ol (CAS 54949-74-5) is a chemical compound with molecular formula C4H5F5O and molecular weight 164.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,4,4,4-pentafluorobutan-1-ol
Also Known As: 3,3,4,4,4-Pentafluorobutan-1-ol, 3,3,4,4,4-pentafluorobutanol-1, 2:2 fluorotelomer alcohol, Fluorotelomer alcohol 2:2, 3,3,4,4,4-pentafluoro-1-Butanol
| Molecular Formula | C4H5F5O |
|---|---|
| Molecular Weight | 164.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.02606 |
| Heavy Atoms | 10 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 54949-74-5 |
|---|---|
| SMILES | C(CO)C(C(F)(F)F)(F)F |
| InChIKey | JPMHUDBOKDBBLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3,4,4,4-Pentafluorobutan-1-ol (CAS 54949-74-5), with molecular formula C4H5F5O and molecular weight 164.03 g/mol. IUPAC: 3,3,4,4,4-pentafluorobutan-1-ol.
Chemical Property Profile of 3,3,4,4,4-Pentafluorobutan-1-ol
Property Insights of 3,3,4,4,4-Pentafluorobutan-1-ol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,4,4,4-Pentafluorobutan-1-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 3,3,4,4,4-Pentafluorobutan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,4,4,4-Pentafluorobutan-1-ol has 1 hydrogen bond donor(s) and 6 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 3,3,4,4,4-Pentafluorobutan-1-ol?
The CAS number of 3,3,4,4,4-Pentafluorobutan-1-ol is 54949-74-5.
What is the molecular formula of 3,3,4,4,4-Pentafluorobutan-1-ol?
The molecular formula of 3,3,4,4,4-Pentafluorobutan-1-ol is C4H5F5O.
What is the molecular weight of 3,3,4,4,4-Pentafluorobutan-1-ol?
The molecular weight of 3,3,4,4,4-Pentafluorobutan-1-ol is 164.03 g/mol.
Where can I buy 3,3,4,4,4-Pentafluorobutan-1-ol?
You can request a quote for 3,3,4,4,4-Pentafluorobutan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,4,4,4-Pentafluorobutan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 3,3,4,4,4-Pentafluorobutan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.