4,4,4-Trifluoro-but-2-enoic acid
TL;DR: 4,4,4-Trifluoro-but-2-enoic acid (CAS 62039-92-3) is a chemical compound with molecular formula C4H3F3O2 and molecular weight 140.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluorobut-2-enoic acid
Also Known As: 4,4,4-Trifluorocrotonic acid, 4,4,4-trifluorobut-2-enoic acid, HiDDpNDIAICICHiBeJifAAP, 4,4,4-trifluoro-but-2-enoic acid, beta-trifluoromethyl-acrylic acid
| Molecular Formula | C4H3F3O2 |
|---|---|
| Molecular Weight | 140.01 g/mol |
| LogP | 1.1895 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.00851 |
| Heavy Atoms | 9 |
| Complexity | 135.2384 |
Chemical Identifiers
| CAS Number | 62039-92-3 |
|---|---|
| SMILES | C(=CC(F)(F)F)C(=O)O |
Product Overview
4,4,4-Trifluoro-but-2-enoic acid (CAS 62039-92-3), with molecular formula C4H3F3O2 and molecular weight 140.01 g/mol. IUPAC: 4,4,4-trifluorobut-2-enoic acid.
Chemical Property Profile of 4,4,4-Trifluoro-but-2-enoic acid
Property Insights of 4,4,4-Trifluoro-but-2-enoic acid
The XLogP value of 1.1895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,4-Trifluoro-but-2-enoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4,4,4-Trifluoro-but-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trifluoro-but-2-enoic acid has 1 hydrogen bond donor(s) and 1 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 4,4,4-Trifluoro-but-2-enoic acid?
The CAS number of 4,4,4-Trifluoro-but-2-enoic acid is 62039-92-3.
What is the molecular formula of 4,4,4-Trifluoro-but-2-enoic acid?
The molecular formula of 4,4,4-Trifluoro-but-2-enoic acid is C4H3F3O2.
What is the molecular weight of 4,4,4-Trifluoro-but-2-enoic acid?
The molecular weight of 4,4,4-Trifluoro-but-2-enoic acid is 140.01 g/mol.
Where can I buy 4,4,4-Trifluoro-but-2-enoic acid?
You can request a quote for 4,4,4-Trifluoro-but-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,4-Trifluoro-but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trifluoro-but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.