(E)-4-(tert-butylamino)-1,1,1-trifluorobut-3-en-2-one
TL;DR: (E)-4-(tert-butylamino)-1,1,1-trifluorobut-3-en-2-one (CAS 176722-50-2) is a chemical compound with molecular formula C8H12F3NO and molecular weight 195.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(tert-butylamino)-1,1,1-trifluorobut-3-en-2-one
Also Known As: 4-(tert-butylamino)-1,1,1-trifluorobut-3-en-2-one, (E)-4-(tert-butylamino)-1,1,1-trifluorobut-3-en-2-one, 4-(tert-butylamino)-1,1,1-trifluorobut-3-en-2-one, Z, J1.451.394I, 1,1,1-Trifluoro-4-(tert-butylamino)-3-butene-2-one
| Molecular Formula | C8H12F3NO |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 2.0196 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.0871 |
| Heavy Atoms | 13 |
| Complexity | 212.40948 |
Chemical Identifiers
| CAS Number | 176722-50-2 |
|---|---|
| SMILES | CC(C)(C)N/C=C/C(=O)C(F)(F)F |
Product Overview
(E)-4-(tert-butylamino)-1,1,1-trifluorobut-3-en-2-one (CAS 176722-50-2), with molecular formula C8H12F3NO and molecular weight 195.09 g/mol. IUPAC: (E)-4-(tert-butylamino)-1,1,1-trifluorobut-3-en-2-one.
Chemical Property Profile of (E)-4-(tert-butylamino)-1,1,1-trifluorobut-3-en-2-one
Property Insights of (E)-4-(tert-butylamino)-1,1,1-trifluorobut-3-en-2-one
The XLogP value of 2.0196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-(tert-butylamino)-1,1,1-trifluorobut-3-en-2-one. With a topological polar surface area (TPSA) of 29.1 Ų, (E)-4-(tert-butylamino)-1,1,1-trifluorobut-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-(tert-butylamino)-1,1,1-trifluorobut-3-en-2-one has 1 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 (E)-4-(tert-butylamino)-1,1,1-trifluorobut-3-en-2-one?
The CAS number of (E)-4-(tert-butylamino)-1,1,1-trifluorobut-3-en-2-one is 176722-50-2.
What is the molecular formula of (E)-4-(tert-butylamino)-1,1,1-trifluorobut-3-en-2-one?
The molecular formula of (E)-4-(tert-butylamino)-1,1,1-trifluorobut-3-en-2-one is C8H12F3NO.
What is the molecular weight of (E)-4-(tert-butylamino)-1,1,1-trifluorobut-3-en-2-one?
The molecular weight of (E)-4-(tert-butylamino)-1,1,1-trifluorobut-3-en-2-one is 195.09 g/mol.
Where can I buy (E)-4-(tert-butylamino)-1,1,1-trifluorobut-3-en-2-one?
You can request a quote for (E)-4-(tert-butylamino)-1,1,1-trifluorobut-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(tert-butylamino)-1,1,1-trifluorobut-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(tert-butylamino)-1,1,1-trifluorobut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.