alpha-(Trifluoromethoxy)-alpha,alpha-difluoromethyl acetate
TL;DR: alpha-(Trifluoromethoxy)-alpha,alpha-difluoromethyl acetate (CAS 2195-84-8) is a chemical compound with molecular formula C4H3F5O3 and molecular weight 194.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[difluoro(trifluoromethoxy)methyl] acetate
Also Known As: difluoro(trifluoromethoxy)methyl acetate, [difluoro(trifluoromethoxy)methyl] acetate, alpha-(Trifluoromethoxy)-alpha,alpha-difluoromethyl acetate, Methanol, 1,1-difluoro-1-(trifluoromethoxy)-, acetate, .alpha.-(Trifluoromethoxy)-.alpha.,.alpha.-difluoromethyl acetate
| Molecular Formula | C4H3F5O3 |
|---|---|
| Molecular Weight | 194.00 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.00023 |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 2195-84-8 |
|---|---|
| SMILES | CC(=O)OC(OC(F)(F)F)(F)F |
| InChIKey | LMIXDPWHHJAXJJ-UHFFFAOYSA-N |
Product Overview
alpha-(Trifluoromethoxy)-alpha,alpha-difluoromethyl acetate (CAS 2195-84-8), with molecular formula C4H3F5O3 and molecular weight 194.00 g/mol. IUPAC: [difluoro(trifluoromethoxy)methyl] acetate.
Chemical Property Profile of alpha-(Trifluoromethoxy)-alpha,alpha-difluoromethyl acetate
Property Insights of alpha-(Trifluoromethoxy)-alpha,alpha-difluoromethyl acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-(Trifluoromethoxy)-alpha,alpha-difluoromethyl acetate. With a topological polar surface area (TPSA) of 35.5 Ų, alpha-(Trifluoromethoxy)-alpha,alpha-difluoromethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(Trifluoromethoxy)-alpha,alpha-difluoromethyl acetate has 0 hydrogen bond donor(s) and 8 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 alpha-(Trifluoromethoxy)-alpha,alpha-difluoromethyl acetate?
The CAS number of alpha-(Trifluoromethoxy)-alpha,alpha-difluoromethyl acetate is 2195-84-8.
What is the molecular formula of alpha-(Trifluoromethoxy)-alpha,alpha-difluoromethyl acetate?
The molecular formula of alpha-(Trifluoromethoxy)-alpha,alpha-difluoromethyl acetate is C4H3F5O3.
What is the molecular weight of alpha-(Trifluoromethoxy)-alpha,alpha-difluoromethyl acetate?
The molecular weight of alpha-(Trifluoromethoxy)-alpha,alpha-difluoromethyl acetate is 194.00 g/mol.
Where can I buy alpha-(Trifluoromethoxy)-alpha,alpha-difluoromethyl acetate?
You can request a quote for alpha-(Trifluoromethoxy)-alpha,alpha-difluoromethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(Trifluoromethoxy)-alpha,alpha-difluoromethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for alpha-(Trifluoromethoxy)-alpha,alpha-difluoromethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.