2-(Trifluoromethyl)benzoyl fluoride
TL;DR: 2-(Trifluoromethyl)benzoyl fluoride (CAS 312-96-9) is a chemical compound with molecular formula C8H4F4O and molecular weight 192.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethyl)benzoyl fluoride
Also Known As: 2-(Trifluoromethyl)benzoyl fluoride, trifluoromethylbenzoyl fluoride, 2-Trifluormethyl-benzoylfluorid, 2-trifluoromethylbenzoyl fluoride, Benzoyl fluoride, 2-(trifluoromethyl)-
| Molecular Formula | C8H4F4O |
|---|---|
| Molecular Weight | 192.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.01982 |
| Heavy Atoms | 13 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 312-96-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)F)C(F)(F)F |
| InChIKey | MPSOUKZPIUZZDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Trifluoromethyl)benzoyl fluoride (CAS 312-96-9), with molecular formula C8H4F4O and molecular weight 192.02 g/mol. IUPAC: 2-(trifluoromethyl)benzoyl fluoride.
Chemical Property Profile of 2-(Trifluoromethyl)benzoyl fluoride
Property Insights of 2-(Trifluoromethyl)benzoyl fluoride
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Trifluoromethyl)benzoyl fluoride. With a topological polar surface area (TPSA) of 17.1 Ų, 2-(Trifluoromethyl)benzoyl fluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trifluoromethyl)benzoyl fluoride has 0 hydrogen bond donor(s) and 5 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 2-(Trifluoromethyl)benzoyl fluoride?
The CAS number of 2-(Trifluoromethyl)benzoyl fluoride is 312-96-9.
What is the molecular formula of 2-(Trifluoromethyl)benzoyl fluoride?
The molecular formula of 2-(Trifluoromethyl)benzoyl fluoride is C8H4F4O.
What is the molecular weight of 2-(Trifluoromethyl)benzoyl fluoride?
The molecular weight of 2-(Trifluoromethyl)benzoyl fluoride is 192.02 g/mol.
Where can I buy 2-(Trifluoromethyl)benzoyl fluoride?
You can request a quote for 2-(Trifluoromethyl)benzoyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trifluoromethyl)benzoyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trifluoromethyl)benzoyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.