1,1,1-Trifluoroisopropyl acetate
TL;DR: 1,1,1-Trifluoroisopropyl acetate (CAS 400-37-3) is a chemical compound with molecular formula C5H7F3O2 and molecular weight 156.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoropropan-2-yl acetate
Also Known As: 1,1,1-trifluoroisopropyl acetate, isopropyltrifluoroacetate, 1,1,1-trifluoropropan-2-yl acetate, 1,1,1-Trifluoro-2-propyl acetate, Isopropyl trifluoroacetate
| Molecular Formula | C5H7F3O2 |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | 1.5003 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.03981 |
| Heavy Atoms | 10 |
| Complexity | 129.34497 |
Chemical Identifiers
| CAS Number | 400-37-3 |
|---|---|
| SMILES | CC(C(F)(F)F)OC(=O)C |
Product Overview
1,1,1-Trifluoroisopropyl acetate (CAS 400-37-3), with molecular formula C5H7F3O2 and molecular weight 156.04 g/mol. IUPAC: 1,1,1-trifluoropropan-2-yl acetate.
Chemical Property Profile of 1,1,1-Trifluoroisopropyl acetate
Property Insights of 1,1,1-Trifluoroisopropyl acetate
The XLogP value of 1.5003 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoroisopropyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 1,1,1-Trifluoroisopropyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoroisopropyl acetate has 0 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-Trifluoroisopropyl acetate?
The CAS number of 1,1,1-Trifluoroisopropyl acetate is 400-37-3.
What is the molecular formula of 1,1,1-Trifluoroisopropyl acetate?
The molecular formula of 1,1,1-Trifluoroisopropyl acetate is C5H7F3O2.
What is the molecular weight of 1,1,1-Trifluoroisopropyl acetate?
The molecular weight of 1,1,1-Trifluoroisopropyl acetate is 156.04 g/mol.
Where can I buy 1,1,1-Trifluoroisopropyl acetate?
You can request a quote for 1,1,1-Trifluoroisopropyl acetate 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-Trifluoroisopropyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoroisopropyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.