4-氟-3-(三氟甲基)苯甲酰氯
TL;DR: 4-氟-3-(三氟甲基)苯甲酰氯 (CAS 2252-37-1) 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.
4-氟-3-(三氟甲基)苯甲酰氯
4-fluoro-3-(trifluoromethyl)benzoyl chloride
Also Known As: 4-Fluoro-3-(trifluoromethyl)benzoyl chloride, 4-fluoro-3-(trifluoromethyl)benzoylchloride, 4-FLUORO-3- BENZOYLCHLORIDE, 2-BROMO-6-FLUOROBENZOIC ACID, 4-fluoro-3-trifluoromethyl-benzoyl chloride
| 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 | 2252-37-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)Cl)C(F)(F)F)F |
| InChIKey | BUDISZQHCHGLJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氟-3-(三氟甲基)苯甲酰氯 (CAS 2252-37-1), with molecular formula C8H3ClF4O and molecular weight 225.98 g/mol. IUPAC: 4-fluoro-3-(trifluoromethyl)benzoyl chloride.
Chemical Property Profile of 4-氟-3-(三氟甲基)苯甲酰氯
Property Insights of 4-氟-3-(三氟甲基)苯甲酰氯
The XLogP value of 3.4 indicates that 4-氟-3-(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, 4-氟-3-(三氟甲基)苯甲酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氟-3-(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 4-氟-3-(三氟甲基)苯甲酰氯?
The CAS number of 4-氟-3-(三氟甲基)苯甲酰氯 is 2252-37-1.
What is the molecular formula of 4-氟-3-(三氟甲基)苯甲酰氯?
The molecular formula of 4-氟-3-(三氟甲基)苯甲酰氯 is C8H3ClF4O.
What is the molecular weight of 4-氟-3-(三氟甲基)苯甲酰氯?
The molecular weight of 4-氟-3-(三氟甲基)苯甲酰氯 is 225.98 g/mol.
Where can I buy 4-氟-3-(三氟甲基)苯甲酰氯?
You can request a quote for 4-氟-3-(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 4-氟-3-(三氟甲基)苯甲酰氯?
Yes, KEHONG BIO provides custom synthesis services for 4-氟-3-(三氟甲基)苯甲酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.