1-Chloro-3,3,3-trifluoro-2-methylpropene
TL;DR: 1-Chloro-3,3,3-trifluoro-2-methylpropene (CAS 381-83-9) is a chemical compound with molecular formula C=C(CCl)C(F)(F)F and molecular weight 144.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-3,3,3-trifluoroprop-1-ene
Also Known As: 1-Chloro-3,3,3-trifluoro-2-methylpropene, 3-chloro-2-(trifluoromethyl)prop-1-ene, 2-(chloromethyl)-3,3,3-trifluoroprop-1-ene, 2-chloromethyl-3,3,3-trifluoro-propene, 2-(chloromethyl)-3,3,3-trifluoro-1-propene
| Molecular Formula | C=C(CCl)C(F)(F)F |
|---|---|
| Molecular Weight | 144.00 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 143.99536 |
| Heavy Atoms | 8 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 381-83-9 |
|---|---|
| SMILES | C=C(CCl)C(F)(F)F |
| InChIKey | DHODLDAVSMRUMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-3,3,3-trifluoro-2-methylpropene (CAS 381-83-9), with molecular formula C=C(CCl)C(F)(F)F and molecular weight 144.00 g/mol. IUPAC: 2-(chloromethyl)-3,3,3-trifluoroprop-1-ene.
Chemical Property Profile of 1-Chloro-3,3,3-trifluoro-2-methylpropene
Property Insights of 1-Chloro-3,3,3-trifluoro-2-methylpropene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-3,3,3-trifluoro-2-methylpropene. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-3,3,3-trifluoro-2-methylpropene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3,3,3-trifluoro-2-methylpropene 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 1-Chloro-3,3,3-trifluoro-2-methylpropene?
The CAS number of 1-Chloro-3,3,3-trifluoro-2-methylpropene is 381-83-9.
What is the molecular formula of 1-Chloro-3,3,3-trifluoro-2-methylpropene?
The molecular formula of 1-Chloro-3,3,3-trifluoro-2-methylpropene is C=C(CCl)C(F)(F)F.
What is the molecular weight of 1-Chloro-3,3,3-trifluoro-2-methylpropene?
The molecular weight of 1-Chloro-3,3,3-trifluoro-2-methylpropene is 144.00 g/mol.
Where can I buy 1-Chloro-3,3,3-trifluoro-2-methylpropene?
You can request a quote for 1-Chloro-3,3,3-trifluoro-2-methylpropene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3,3,3-trifluoro-2-methylpropene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3,3,3-trifluoro-2-methylpropene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.