1-(三氯甲基)-3-(三氟甲基)苯
TL;DR: 1-(三氯甲基)-3-(三氟甲基)苯 (CAS 16766-90-8) is a chemical compound with molecular formula C8H4Cl3F3 and molecular weight 261.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(三氯甲基)-3-(三氟甲基)苯
1-(trichloromethyl)-3-(trifluoromethyl)benzene
Also Known As: 1-(Trichloromethyl)-3-(trifluoromethyl)benzene, 3-Trifluoromethyl Benzotrichloride, 3-(Trifluoromethyl)benzotrichloride, 3-(Trichloromethyl)benzotrifluoride, bis(2-carboxyethyl)isocyanurate
| Molecular Formula | C8H4Cl3F3 |
|---|---|
| Molecular Weight | 261.93 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 261.93307 |
| Heavy Atoms | 14 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 16766-90-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(Cl)(Cl)Cl)C(F)(F)F |
| InChIKey | SKWWCKGHUDPXOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(三氯甲基)-3-(三氟甲基)苯 (CAS 16766-90-8), with molecular formula C8H4Cl3F3 and molecular weight 261.93 g/mol. IUPAC: 1-(trichloromethyl)-3-(trifluoromethyl)benzene.
Chemical Property Profile of 1-(三氯甲基)-3-(三氟甲基)苯
Property Insights of 1-(三氯甲基)-3-(三氟甲基)苯
The XLogP value of 4.6 indicates that 1-(三氯甲基)-3-(三氟甲基)苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-(三氯甲基)-3-(三氟甲基)苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(三氯甲基)-3-(三氟甲基)苯 has 0 hydrogen bond donor(s) and 3 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-(三氯甲基)-3-(三氟甲基)苯?
The CAS number of 1-(三氯甲基)-3-(三氟甲基)苯 is 16766-90-8.
What is the molecular formula of 1-(三氯甲基)-3-(三氟甲基)苯?
The molecular formula of 1-(三氯甲基)-3-(三氟甲基)苯 is C8H4Cl3F3.
What is the molecular weight of 1-(三氯甲基)-3-(三氟甲基)苯?
The molecular weight of 1-(三氯甲基)-3-(三氟甲基)苯 is 261.93 g/mol.
Where can I buy 1-(三氯甲基)-3-(三氟甲基)苯?
You can request a quote for 1-(三氯甲基)-3-(三氟甲基)苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(三氯甲基)-3-(三氟甲基)苯?
Yes, KEHONG BIO provides custom synthesis services for 1-(三氯甲基)-3-(三氟甲基)苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.