3-(Trifluoromethyl)phenyl chloroformate
TL;DR: 3-(Trifluoromethyl)phenyl chloroformate (CAS 95668-29-4) is a chemical compound with molecular formula C8H4ClF3O2 and molecular weight 223.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(trifluoromethyl)phenyl] carbonochloridate
Also Known As: 3-(Trifluoromethyl)phenyl chloroformate, 3-(trifluoromethyl)phenyl carbonochloridate, FOR-PHE-GLY-OH, [3-(trifluoromethyl)phenyl] carbonochloridate, 3- PHENYLCHLOROFORMATE
| Molecular Formula | C8H4ClF3O2 |
|---|---|
| Molecular Weight | 223.99 g/mol |
| LogP | 3.443 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.9852 |
| Heavy Atoms | 14 |
| Complexity | 348.68478 |
Chemical Identifiers
| CAS Number | 95668-29-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(=O)Cl)C(F)(F)F |
Product Overview
3-(Trifluoromethyl)phenyl chloroformate (CAS 95668-29-4), with molecular formula C8H4ClF3O2 and molecular weight 223.99 g/mol. IUPAC: [3-(trifluoromethyl)phenyl] carbonochloridate.
Chemical Property Profile of 3-(Trifluoromethyl)phenyl chloroformate
Property Insights of 3-(Trifluoromethyl)phenyl chloroformate
The XLogP value of 3.443 indicates that 3-(Trifluoromethyl)phenyl chloroformate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-(Trifluoromethyl)phenyl chloroformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoromethyl)phenyl chloroformate has 0 hydrogen bond donor(s) and 2 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 3-(Trifluoromethyl)phenyl chloroformate?
The CAS number of 3-(Trifluoromethyl)phenyl chloroformate is 95668-29-4.
What is the molecular formula of 3-(Trifluoromethyl)phenyl chloroformate?
The molecular formula of 3-(Trifluoromethyl)phenyl chloroformate is C8H4ClF3O2.
What is the molecular weight of 3-(Trifluoromethyl)phenyl chloroformate?
The molecular weight of 3-(Trifluoromethyl)phenyl chloroformate is 223.99 g/mol.
Where can I buy 3-(Trifluoromethyl)phenyl chloroformate?
You can request a quote for 3-(Trifluoromethyl)phenyl chloroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trifluoromethyl)phenyl chloroformate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoromethyl)phenyl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.