3-(Trifluoromethyl)cinnamoyl chloride
TL;DR: 3-(Trifluoromethyl)cinnamoyl chloride (CAS 60689-14-7) is a chemical compound with molecular formula C10H6ClF3O and molecular weight 234.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride
Also Known As: 3-(Trifluoromethyl)cinnamoyl chloride, trans-3-(Trifluoromethyl)cinnamoyl chloride, 3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride, 3-Trifluoromethyl-cinnamoyl chloride, 3-(3-(Trifluoromethyl)phenyl)acryloyl chloride
| Molecular Formula | C10H6ClF3O |
|---|---|
| Molecular Weight | 234.01 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.00592 |
| Heavy Atoms | 15 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 60689-14-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C=CC(=O)Cl |
| InChIKey | HGQSKTQYEWJJRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Trifluoromethyl)cinnamoyl chloride (CAS 60689-14-7), with molecular formula C10H6ClF3O and molecular weight 234.01 g/mol. IUPAC: 3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride.
Chemical Property Profile of 3-(Trifluoromethyl)cinnamoyl chloride
Property Insights of 3-(Trifluoromethyl)cinnamoyl chloride
The XLogP value of 3.7 indicates that 3-(Trifluoromethyl)cinnamoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-(Trifluoromethyl)cinnamoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoromethyl)cinnamoyl chloride has 0 hydrogen bond donor(s) and 4 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)cinnamoyl chloride?
The CAS number of 3-(Trifluoromethyl)cinnamoyl chloride is 60689-14-7.
What is the molecular formula of 3-(Trifluoromethyl)cinnamoyl chloride?
The molecular formula of 3-(Trifluoromethyl)cinnamoyl chloride is C10H6ClF3O.
What is the molecular weight of 3-(Trifluoromethyl)cinnamoyl chloride?
The molecular weight of 3-(Trifluoromethyl)cinnamoyl chloride is 234.01 g/mol.
Where can I buy 3-(Trifluoromethyl)cinnamoyl chloride?
You can request a quote for 3-(Trifluoromethyl)cinnamoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trifluoromethyl)cinnamoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoromethyl)cinnamoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.