2-氟-4-(三氟甲基)苯甲酰氯
TL;DR: 2-氟-4-(三氟甲基)苯甲酰氯 (CAS 202865-85-8) is a chemical compound with molecular formula C8H3ClF4O and molecular weight 225.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氟-4-(三氟甲基)苯甲酰氯
2-fluoro-4-(trifluoromethyl)benzoyl chloride
Also Known As: 2-Fluoro-4-(trifluoromethyl)benzoyl chloride, 2-Bromo-5-iodotoluene, Benzoyl chloride, 2-fluoro-4-(trifluoromethyl)-, 2-fluoro-4-(trifluoromethyl)benzoylchloride, PC4374N
| Molecular Formula | C8H3ClF4O |
|---|---|
| Molecular Weight | 225.98 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.98085 |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 202865-85-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)F)C(=O)Cl |
| InChIKey | OOAHPLWBUUTFMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氟-4-(三氟甲基)苯甲酰氯 (CAS 202865-85-8), with molecular formula C8H3ClF4O and molecular weight 225.98 g/mol. IUPAC: 2-fluoro-4-(trifluoromethyl)benzoyl chloride.
Chemical Property Profile of 2-氟-4-(三氟甲基)苯甲酰氯
Property Insights of 2-氟-4-(三氟甲基)苯甲酰氯
The XLogP value of 3.4 indicates that 2-氟-4-(三氟甲基)苯甲酰氯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-氟-4-(三氟甲基)苯甲酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氟-4-(三氟甲基)苯甲酰氯 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-氟-4-(三氟甲基)苯甲酰氯?
The CAS number of 2-氟-4-(三氟甲基)苯甲酰氯 is 202865-85-8.
What is the molecular formula of 2-氟-4-(三氟甲基)苯甲酰氯?
The molecular formula of 2-氟-4-(三氟甲基)苯甲酰氯 is C8H3ClF4O.
What is the molecular weight of 2-氟-4-(三氟甲基)苯甲酰氯?
The molecular weight of 2-氟-4-(三氟甲基)苯甲酰氯 is 225.98 g/mol.
Where can I buy 2-氟-4-(三氟甲基)苯甲酰氯?
You can request a quote for 2-氟-4-(三氟甲基)苯甲酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氟-4-(三氟甲基)苯甲酰氯?
Yes, KEHONG BIO provides custom synthesis services for 2-氟-4-(三氟甲基)苯甲酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.