2-(Trifluoromethyl)acrylic acid
TL;DR: 2-(Trifluoromethyl)acrylic acid (CAS 381-98-6) 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.
2-(trifluoromethyl)prop-2-enoic acid
Also Known As: 2-(Trifluoromethyl)acrylic acid, 2-(Trifluoromethyl)propenoic acid, 2-(trifluoromethyl)prop-2-enoic acid, Butantrone, TFMAA
| Molecular Formula | C4H3F3O2 |
|---|---|
| Molecular Weight | 140.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.00851 |
| Heavy Atoms | 9 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 381-98-6 |
|---|---|
| SMILES | C=C(C(=O)O)C(F)(F)F |
| InChIKey | VLSRKCIBHNJFHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Trifluoromethyl)acrylic acid (CAS 381-98-6), with molecular formula C4H3F3O2 and molecular weight 140.01 g/mol. IUPAC: 2-(trifluoromethyl)prop-2-enoic acid.
Chemical Property Profile of 2-(Trifluoromethyl)acrylic acid
Property Insights of 2-(Trifluoromethyl)acrylic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Trifluoromethyl)acrylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(Trifluoromethyl)acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trifluoromethyl)acrylic acid has 1 hydrogen bond donor(s) and 5 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 2-(Trifluoromethyl)acrylic acid?
The CAS number of 2-(Trifluoromethyl)acrylic acid is 381-98-6.
What is the molecular formula of 2-(Trifluoromethyl)acrylic acid?
The molecular formula of 2-(Trifluoromethyl)acrylic acid is C4H3F3O2.
What is the molecular weight of 2-(Trifluoromethyl)acrylic acid?
The molecular weight of 2-(Trifluoromethyl)acrylic acid is 140.01 g/mol.
Where can I buy 2-(Trifluoromethyl)acrylic acid?
You can request a quote for 2-(Trifluoromethyl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trifluoromethyl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trifluoromethyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.