(3,3,3-Trifluoroprop-1-en-2-yl)boronic acid
TL;DR: (3,3,3-Trifluoroprop-1-en-2-yl)boronic acid (CAS 357289-65-7) is a chemical compound with molecular formula C3H4BF3O2 and molecular weight 140.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,3-trifluoroprop-1-en-2-ylboronic acid
Also Known As: (3,3,3-Trifluoroprop-1-en-2-yl)boronic acid, 3,3,3-trifluoroprop-1-en-2-ylboronic Acid, 97% mix TBC as stabilizer, ALPHA- ETHENYLBORONICACID, [1-(trifluoromethyl)vinyl]boronic acid
| Molecular Formula | C3H4BF3O2 |
|---|---|
| Molecular Weight | 140.03 g/mol |
| LogP | 0.1169 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.02565 |
| Heavy Atoms | 9 |
| Complexity | 118.71649 |
Chemical Identifiers
| CAS Number | 357289-65-7 |
|---|---|
| SMILES | B(C(=C)C(F)(F)F)(O)O |
Product Overview
(3,3,3-Trifluoroprop-1-en-2-yl)boronic acid (CAS 357289-65-7), with molecular formula C3H4BF3O2 and molecular weight 140.03 g/mol. IUPAC: 3,3,3-trifluoroprop-1-en-2-ylboronic acid.
Chemical Property Profile of (3,3,3-Trifluoroprop-1-en-2-yl)boronic acid
Property Insights of (3,3,3-Trifluoroprop-1-en-2-yl)boronic acid
The XLogP value of 0.1169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,3,3-Trifluoroprop-1-en-2-yl)boronic acid. With a topological polar surface area (TPSA) of 40.46 Ų, (3,3,3-Trifluoroprop-1-en-2-yl)boronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,3,3-Trifluoroprop-1-en-2-yl)boronic acid has 2 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 (3,3,3-Trifluoroprop-1-en-2-yl)boronic acid?
The CAS number of (3,3,3-Trifluoroprop-1-en-2-yl)boronic acid is 357289-65-7.
What is the molecular formula of (3,3,3-Trifluoroprop-1-en-2-yl)boronic acid?
The molecular formula of (3,3,3-Trifluoroprop-1-en-2-yl)boronic acid is C3H4BF3O2.
What is the molecular weight of (3,3,3-Trifluoroprop-1-en-2-yl)boronic acid?
The molecular weight of (3,3,3-Trifluoroprop-1-en-2-yl)boronic acid is 140.03 g/mol.
Where can I buy (3,3,3-Trifluoroprop-1-en-2-yl)boronic acid?
You can request a quote for (3,3,3-Trifluoroprop-1-en-2-yl)boronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,3,3-Trifluoroprop-1-en-2-yl)boronic acid?
Yes, KEHONG BIO provides custom synthesis services for (3,3,3-Trifluoroprop-1-en-2-yl)boronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.