2'-(三氟甲基)苯乙酮
TL;DR: 2'-(三氟甲基)苯乙酮 (CAS 17408-14-9) is a chemical compound with molecular formula C9H7F3O and molecular weight 188.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-(三氟甲基)苯乙酮
1-[2-(trifluoromethyl)phenyl]ethanone
Also Known As: 2'-(Trifluoromethyl)acetophenone, 1-(2-(trifluoromethyl)phenyl)ethanone, fxffr bv1, 1-[2-(Trifluoromethyl)phenyl]ethanone, 2-(trifluoromethyl)acetophenone
| Molecular Formula | C9H7F3O |
|---|---|
| Molecular Weight | 188.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.0449 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 17408-14-9 |
|---|---|
| SMILES | CC(=O)C1=CC=CC=C1C(F)(F)F |
| InChIKey | FYDUUODXZQITBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-(三氟甲基)苯乙酮 (CAS 17408-14-9), with molecular formula C9H7F3O and molecular weight 188.04 g/mol. IUPAC: 1-[2-(trifluoromethyl)phenyl]ethanone.
Chemical Property Profile of 2'-(三氟甲基)苯乙酮
Property Insights of 2'-(三氟甲基)苯乙酮
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-(三氟甲基)苯乙酮. With a topological polar surface area (TPSA) of 17.1 Ų, 2'-(三氟甲基)苯乙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2'-(三氟甲基)苯乙酮 has 0 hydrogen bond donor(s) and 4 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'-(三氟甲基)苯乙酮?
The CAS number of 2'-(三氟甲基)苯乙酮 is 17408-14-9.
What is the molecular formula of 2'-(三氟甲基)苯乙酮?
The molecular formula of 2'-(三氟甲基)苯乙酮 is C9H7F3O.
What is the molecular weight of 2'-(三氟甲基)苯乙酮?
The molecular weight of 2'-(三氟甲基)苯乙酮 is 188.04 g/mol.
Where can I buy 2'-(三氟甲基)苯乙酮?
You can request a quote for 2'-(三氟甲基)苯乙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-(三氟甲基)苯乙酮?
Yes, KEHONG BIO provides custom synthesis services for 2'-(三氟甲基)苯乙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.