氯甲酸-2-氟乙酯
TL;DR: 氯甲酸-2-氟乙酯 (CAS 462-27-1) is a chemical compound with molecular formula C3H4ClFO2 and molecular weight 125.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯甲酸-2-氟乙酯
2-fluoroethyl carbonochloridate
Also Known As: 2-Fluoroethyl chloroformate, 2-fluoroethyl carbonochloridate, 2-Fluorathyl-chlorcarbonat, Chloroformic acid 2-fluoroethyl ester, Carbonochloridic acid, 2-fluoroethyl ester
| Molecular Formula | C3H4ClFO2 |
|---|---|
| Molecular Weight | 125.99 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 125.98839 |
| Heavy Atoms | 7 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 462-27-1 |
|---|---|
| SMILES | C(CF)OC(=O)Cl |
| InChIKey | FOHSVPIFZASOED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯甲酸-2-氟乙酯 (CAS 462-27-1), with molecular formula C3H4ClFO2 and molecular weight 125.99 g/mol. IUPAC: 2-fluoroethyl carbonochloridate.
Chemical Property Profile of 氯甲酸-2-氟乙酯
Property Insights of 氯甲酸-2-氟乙酯
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯甲酸-2-氟乙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 氯甲酸-2-氟乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯甲酸-2-氟乙酯 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 氯甲酸-2-氟乙酯?
The CAS number of 氯甲酸-2-氟乙酯 is 462-27-1.
What is the molecular formula of 氯甲酸-2-氟乙酯?
The molecular formula of 氯甲酸-2-氟乙酯 is C3H4ClFO2.
What is the molecular weight of 氯甲酸-2-氟乙酯?
The molecular weight of 氯甲酸-2-氟乙酯 is 125.99 g/mol.
Where can I buy 氯甲酸-2-氟乙酯?
You can request a quote for 氯甲酸-2-氟乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯甲酸-2-氟乙酯?
Yes, KEHONG BIO provides custom synthesis services for 氯甲酸-2-氟乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.