4,4,4-Trifluoro-2-buten-1-ol
TL;DR: 4,4,4-Trifluoro-2-buten-1-ol (CAS 83706-98-3) is a chemical compound with molecular formula C4H5F3O and molecular weight 126.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluorobut-2-en-1-ol
Also Known As: 4,4,4-trifluorobut-2-en-1-ol, 4,4,4-trifluoro-2-buten-1-ol, 2-Buten-1-ol, 4,4,4-trifluoro-, (E)-, 4,4,4-Trifluorocrotyl alcohol, (E)-4,4,4-trifluorobut-2-en-1-ol
| Molecular Formula | C4H5F3O |
|---|---|
| Molecular Weight | 126.03 g/mol |
| LogP | 1.0972 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.02925 |
| Heavy Atoms | 8 |
| Complexity | 83.77444 |
Chemical Identifiers
| CAS Number | 83706-98-3 |
|---|---|
| SMILES | C(C=CC(F)(F)F)O |
Product Overview
4,4,4-Trifluoro-2-buten-1-ol (CAS 83706-98-3), with molecular formula C4H5F3O and molecular weight 126.03 g/mol. IUPAC: 4,4,4-trifluorobut-2-en-1-ol.
Chemical Property Profile of 4,4,4-Trifluoro-2-buten-1-ol
Property Insights of 4,4,4-Trifluoro-2-buten-1-ol
The XLogP value of 1.0972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,4-Trifluoro-2-buten-1-ol. With a topological polar surface area (TPSA) of 20.23 Ų, 4,4,4-Trifluoro-2-buten-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trifluoro-2-buten-1-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 4,4,4-Trifluoro-2-buten-1-ol?
The CAS number of 4,4,4-Trifluoro-2-buten-1-ol is 83706-98-3.
What is the molecular formula of 4,4,4-Trifluoro-2-buten-1-ol?
The molecular formula of 4,4,4-Trifluoro-2-buten-1-ol is C4H5F3O.
What is the molecular weight of 4,4,4-Trifluoro-2-buten-1-ol?
The molecular weight of 4,4,4-Trifluoro-2-buten-1-ol is 126.03 g/mol.
Where can I buy 4,4,4-Trifluoro-2-buten-1-ol?
You can request a quote for 4,4,4-Trifluoro-2-buten-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-Trifluoro-2-buten-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trifluoro-2-buten-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.