Propenoic acid, 2-trifluoroacetylamino-
TL;DR: Propenoic acid, 2-trifluoroacetylamino- (CAS 675-00-3) is a chemical compound with molecular formula C5H4F3NO3 and molecular weight 183.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,2,2-trifluoroacetyl)amino]prop-2-enoic acid
Also Known As: Propenoic acid, 2-trifluoroacetylamino-, 2-(N-(trifluoroacetyl)amino)propenoic acid, 2-[(Trifluoroacetyl)amino]acrylic acid, 2-[(Trifluoroacetyl)amino]acrylic acid #, 2-(2,2,2-Trifluoroacetylamino)acrylic acid
| Molecular Formula | C5H4F3NO3 |
|---|---|
| Molecular Weight | 183.01 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.01433 |
| Heavy Atoms | 12 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 675-00-3 |
|---|---|
| SMILES | C=C(C(=O)O)NC(=O)C(F)(F)F |
| InChIKey | HDJNMBFPAALTIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propenoic acid, 2-trifluoroacetylamino- (CAS 675-00-3), with molecular formula C5H4F3NO3 and molecular weight 183.01 g/mol. IUPAC: 2-[(2,2,2-trifluoroacetyl)amino]prop-2-enoic acid.
Chemical Property Profile of Propenoic acid, 2-trifluoroacetylamino-
Property Insights of Propenoic acid, 2-trifluoroacetylamino-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propenoic acid, 2-trifluoroacetylamino-. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Propenoic acid, 2-trifluoroacetylamino-. Following Lipinski's Rule of Five, Propenoic acid, 2-trifluoroacetylamino- has 2 hydrogen bond donor(s) and 6 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 Propenoic acid, 2-trifluoroacetylamino-?
The CAS number of Propenoic acid, 2-trifluoroacetylamino- is 675-00-3.
What is the molecular formula of Propenoic acid, 2-trifluoroacetylamino-?
The molecular formula of Propenoic acid, 2-trifluoroacetylamino- is C5H4F3NO3.
What is the molecular weight of Propenoic acid, 2-trifluoroacetylamino-?
The molecular weight of Propenoic acid, 2-trifluoroacetylamino- is 183.01 g/mol.
Where can I buy Propenoic acid, 2-trifluoroacetylamino-?
You can request a quote for Propenoic acid, 2-trifluoroacetylamino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propenoic acid, 2-trifluoroacetylamino-?
Yes, KEHONG BIO provides custom synthesis services for Propenoic acid, 2-trifluoroacetylamino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.