4-(Diethylamino)-1,1,1-trifluorobut-3-en-2-one
TL;DR: 4-(Diethylamino)-1,1,1-trifluorobut-3-en-2-one (CAS 21045-62-5) 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.
4-(diethylamino)-1,1,1-trifluorobut-3-en-2-one
Also Known As: 4-Diethylamino-1,1,1-trifluorobut-3-en-2-one, 4-(diethylamino)-1,1,1-trifluorobut-3-en-2-one, 4-(diethylamino)-1,1,1-trifluoro-3-buten-2-one, 4-diethylamino-1,1,1-trifluoro-3-buten-2-one, 3-Buten-2-one,4-(diethylamino)-1,1,1-trifluoro-
| Molecular Formula | C8H12F3NO |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 1.9733 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.0871 |
| Heavy Atoms | 13 |
| Complexity | 194.05605 |
Chemical Identifiers
| CAS Number | 21045-62-5 |
|---|---|
| SMILES | CCN(CC)C=CC(=O)C(F)(F)F |
Product Overview
4-(Diethylamino)-1,1,1-trifluorobut-3-en-2-one (CAS 21045-62-5), with molecular formula C8H12F3NO and molecular weight 195.09 g/mol. IUPAC: 4-(diethylamino)-1,1,1-trifluorobut-3-en-2-one.
Chemical Property Profile of 4-(Diethylamino)-1,1,1-trifluorobut-3-en-2-one
Property Insights of 4-(Diethylamino)-1,1,1-trifluorobut-3-en-2-one
The XLogP value of 1.9733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Diethylamino)-1,1,1-trifluorobut-3-en-2-one. With a topological polar surface area (TPSA) of 20.31 Ų, 4-(Diethylamino)-1,1,1-trifluorobut-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Diethylamino)-1,1,1-trifluorobut-3-en-2-one has 0 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 4-(Diethylamino)-1,1,1-trifluorobut-3-en-2-one?
The CAS number of 4-(Diethylamino)-1,1,1-trifluorobut-3-en-2-one is 21045-62-5.
What is the molecular formula of 4-(Diethylamino)-1,1,1-trifluorobut-3-en-2-one?
The molecular formula of 4-(Diethylamino)-1,1,1-trifluorobut-3-en-2-one is C8H12F3NO.
What is the molecular weight of 4-(Diethylamino)-1,1,1-trifluorobut-3-en-2-one?
The molecular weight of 4-(Diethylamino)-1,1,1-trifluorobut-3-en-2-one is 195.09 g/mol.
Where can I buy 4-(Diethylamino)-1,1,1-trifluorobut-3-en-2-one?
You can request a quote for 4-(Diethylamino)-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 4-(Diethylamino)-1,1,1-trifluorobut-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Diethylamino)-1,1,1-trifluorobut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.