Benzoyl fluoride, 3-(trifluoromethoxy)-
TL;DR: Benzoyl fluoride, 3-(trifluoromethoxy)- (CAS 658-90-2) is a chemical compound with molecular formula C8H4F4O2 and molecular weight 208.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trifluoromethoxy)benzoyl fluoride
Also Known As: 3-(Trifluoromethoxy)benzoyl fluoride, 3- benzoylfluoride, Benzoyl fluoride, 3-(trifluoromethoxy)-, 3-Trifluormethoxy-benzoesaeure-fluorid, Benzoyl fluoride,3-(trifluoromethoxy)-
| Molecular Formula | C8H4F4O2 |
|---|---|
| Molecular Weight | 208.01 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.01474 |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 658-90-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(F)(F)F)C(=O)F |
| InChIKey | XRRBDBIQJMJLJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoyl fluoride, 3-(trifluoromethoxy)- (CAS 658-90-2), with molecular formula C8H4F4O2 and molecular weight 208.01 g/mol. IUPAC: 3-(trifluoromethoxy)benzoyl fluoride.
Chemical Property Profile of Benzoyl fluoride, 3-(trifluoromethoxy)-
Property Insights of Benzoyl fluoride, 3-(trifluoromethoxy)-
The XLogP value of 3.7 indicates that Benzoyl fluoride, 3-(trifluoromethoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoyl fluoride, 3-(trifluoromethoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoyl fluoride, 3-(trifluoromethoxy)- has 0 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 Benzoyl fluoride, 3-(trifluoromethoxy)-?
The CAS number of Benzoyl fluoride, 3-(trifluoromethoxy)- is 658-90-2.
What is the molecular formula of Benzoyl fluoride, 3-(trifluoromethoxy)-?
The molecular formula of Benzoyl fluoride, 3-(trifluoromethoxy)- is C8H4F4O2.
What is the molecular weight of Benzoyl fluoride, 3-(trifluoromethoxy)-?
The molecular weight of Benzoyl fluoride, 3-(trifluoromethoxy)- is 208.01 g/mol.
Where can I buy Benzoyl fluoride, 3-(trifluoromethoxy)-?
You can request a quote for Benzoyl fluoride, 3-(trifluoromethoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoyl fluoride, 3-(trifluoromethoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoyl fluoride, 3-(trifluoromethoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.