(2E)-3-(3,4-Difluorophenyl)-2-propenoyl chloride
TL;DR: (2E)-3-(3,4-Difluorophenyl)-2-propenoyl chloride (CAS 1043546-64-0) is a chemical compound with molecular formula C9H5ClF2O and molecular weight 201.9997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(3,4-difluorophenyl)prop-2-enoyl chloride
Also Known As: 3,4-difluorocinnamoyl chloride, 3-(3,4-difluorophenyl)prop-2-enoyl chloride, 3-(3,4-Difluorophenyl)acryloyl chloride, (E)-3-(3,4-difluorophenyl)acryloyl chloride, (E)-3-(3,4-difluorophenyl)-2-propenoyl chloride
Technical Specifications
| Molecular Formula | C9H5ClF2O |
| Molecular Weight | 201.9997 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.9997 Da |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
| SMILES | C1=CC(=C(C=C1/C=C/C(=O)Cl)F)F |
| InChIKey | HLVDWMSYSIMRNI-DUXPYHPUSA-N |
Chemical Property Profile of (2E)-3-(3,4-Difluorophenyl)-2-propenoyl chloride
Property Insights of (2E)-3-(3,4-Difluorophenyl)-2-propenoyl chloride
The XLogP value of 3.1 indicates that (2E)-3-(3,4-Difluorophenyl)-2-propenoyl 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, (2E)-3-(3,4-Difluorophenyl)-2-propenoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(3,4-Difluorophenyl)-2-propenoyl chloride 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
What is the CAS number of (2E)-3-(3,4-Difluorophenyl)-2-propenoyl chloride?
The CAS number of (2E)-3-(3,4-Difluorophenyl)-2-propenoyl chloride is 1043546-64-0.
What is the molecular formula of (2E)-3-(3,4-Difluorophenyl)-2-propenoyl chloride?
The molecular formula of (2E)-3-(3,4-Difluorophenyl)-2-propenoyl chloride is C9H5ClF2O.
What is the molecular weight of (2E)-3-(3,4-Difluorophenyl)-2-propenoyl chloride?
The molecular weight of (2E)-3-(3,4-Difluorophenyl)-2-propenoyl chloride is 201.9997 g/mol.
Where can I buy (2E)-3-(3,4-Difluorophenyl)-2-propenoyl chloride?
You can request a quote for (2E)-3-(3,4-Difluorophenyl)-2-propenoyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-3-(3,4-Difluorophenyl)-2-propenoyl chloride?
Yes, CoreyChem provides custom synthesis services for (2E)-3-(3,4-Difluorophenyl)-2-propenoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.