1,1,1-Trifluoropentane-2,4-diol
TL;DR: 1,1,1-Trifluoropentane-2,4-diol (CAS 400-32-8) is a chemical compound with molecular formula C5H9F3O2 and molecular weight 158.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoropentane-2,4-diol
Also Known As: 1,1,1-trifluoropentane-2,4-diol, 1,1,1-trifluoro-2,4-pentanediol, J1.454.785A
| Molecular Formula | C5H9F3O2 |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | 0.6805 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.05547 |
| Heavy Atoms | 10 |
| Complexity | 99.55641 |
Chemical Identifiers
| CAS Number | 400-32-8 |
|---|---|
| SMILES | CC(CC(C(F)(F)F)O)O |
Product Overview
1,1,1-Trifluoropentane-2,4-diol (CAS 400-32-8), with molecular formula C5H9F3O2 and molecular weight 158.06 g/mol. IUPAC: 1,1,1-trifluoropentane-2,4-diol.
Chemical Property Profile of 1,1,1-Trifluoropentane-2,4-diol
Property Insights of 1,1,1-Trifluoropentane-2,4-diol
The XLogP value of 0.6805 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoropentane-2,4-diol. With a topological polar surface area (TPSA) of 40.46 Ų, 1,1,1-Trifluoropentane-2,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoropentane-2,4-diol has 2 hydrogen bond donor(s) and 2 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 1,1,1-Trifluoropentane-2,4-diol?
The CAS number of 1,1,1-Trifluoropentane-2,4-diol is 400-32-8.
What is the molecular formula of 1,1,1-Trifluoropentane-2,4-diol?
The molecular formula of 1,1,1-Trifluoropentane-2,4-diol is C5H9F3O2.
What is the molecular weight of 1,1,1-Trifluoropentane-2,4-diol?
The molecular weight of 1,1,1-Trifluoropentane-2,4-diol is 158.06 g/mol.
Where can I buy 1,1,1-Trifluoropentane-2,4-diol?
You can request a quote for 1,1,1-Trifluoropentane-2,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trifluoropentane-2,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoropentane-2,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.