![1-[3,3,3-Trifluoro-2-(trifluoromethyl)prop-1-en-1-yl]urea structure](/static/products/1805/180569-60-2.webp)
1-[3,3,3-Trifluoro-2-(trifluoromethyl)prop-1-en-1-yl]urea
TL;DR: 1-[3,3,3-Trifluoro-2-(trifluoromethyl)prop-1-en-1-yl]urea (CAS 180569-60-2) is a chemical compound with molecular formula C5H4F6N2O and molecular weight 222.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]urea
Also Known As: J1.061.974B, 1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-en-1-yl]urea, [3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]urea, N-(3,3,3-trifluoro-2-trifluoromethylprop-1-enyl)urea, [3,3,3-trifluoro-2-(trifluoromethyl)prop-1-en-1-yl]urea
| Molecular Formula | C5H4F6N2O |
|---|---|
| Molecular Weight | 222.02 g/mol |
| LogP | 1.6632 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.02278 |
| Heavy Atoms | 14 |
| Complexity | 235.92793 |
Chemical Identifiers
| CAS Number | 180569-60-2 |
|---|---|
| SMILES | C(=C(C(F)(F)F)C(F)(F)F)NC(=O)N |
Product Overview
1-[3,3,3-Trifluoro-2-(trifluoromethyl)prop-1-en-1-yl]urea (CAS 180569-60-2), with molecular formula C5H4F6N2O and molecular weight 222.02 g/mol. IUPAC: [3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]urea.
Chemical Property Profile of 1-[3,3,3-Trifluoro-2-(trifluoromethyl)prop-1-en-1-yl]urea
Property Insights of 1-[3,3,3-Trifluoro-2-(trifluoromethyl)prop-1-en-1-yl]urea
The XLogP value of 1.6632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3,3,3-Trifluoro-2-(trifluoromethyl)prop-1-en-1-yl]urea. With a topological polar surface area (TPSA) of 55.12 Ų, 1-[3,3,3-Trifluoro-2-(trifluoromethyl)prop-1-en-1-yl]urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3,3,3-Trifluoro-2-(trifluoromethyl)prop-1-en-1-yl]urea has 2 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 1-[3,3,3-Trifluoro-2-(trifluoromethyl)prop-1-en-1-yl]urea?
The CAS number of 1-[3,3,3-Trifluoro-2-(trifluoromethyl)prop-1-en-1-yl]urea is 180569-60-2.
What is the molecular formula of 1-[3,3,3-Trifluoro-2-(trifluoromethyl)prop-1-en-1-yl]urea?
The molecular formula of 1-[3,3,3-Trifluoro-2-(trifluoromethyl)prop-1-en-1-yl]urea is C5H4F6N2O.
What is the molecular weight of 1-[3,3,3-Trifluoro-2-(trifluoromethyl)prop-1-en-1-yl]urea?
The molecular weight of 1-[3,3,3-Trifluoro-2-(trifluoromethyl)prop-1-en-1-yl]urea is 222.02 g/mol.
Where can I buy 1-[3,3,3-Trifluoro-2-(trifluoromethyl)prop-1-en-1-yl]urea?
You can request a quote for 1-[3,3,3-Trifluoro-2-(trifluoromethyl)prop-1-en-1-yl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3,3,3-Trifluoro-2-(trifluoromethyl)prop-1-en-1-yl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[3,3,3-Trifluoro-2-(trifluoromethyl)prop-1-en-1-yl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.