(E)-1,1,1-trifluoro-4-(furan-2-yl)but-3-en-2-one
TL;DR: (E)-1,1,1-trifluoro-4-(furan-2-yl)but-3-en-2-one (CAS 202074-24-6) is a chemical compound with molecular formula C8H5F3O2 and molecular weight 190.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1,1,1-trifluoro-4-(furan-2-yl)but-3-en-2-one
Also Known As: (E)-1,1,1-trifluoro-4-(furan-2-yl)but-3-en-2-one, 1,1,1-trifluoro-4-(2-furyl)but-3-en-2-one, J2.369.404B, (3E)-1,1,1-trifluoro-4-(furan-2-yl)but-3-en-2-one, 1,1,1-Trifluoro-4-(2-furyl)-3-buten-2-one
| Molecular Formula | C8H5F3O2 |
|---|---|
| Molecular Weight | 190.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.02417 |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 202074-24-6 |
|---|---|
| SMILES | C1=COC(=C1)/C=C/C(=O)C(F)(F)F |
| InChIKey | XAWNCDXABDPWLO-ONEGZZNKSA-N |
Product Overview
(E)-1,1,1-trifluoro-4-(furan-2-yl)but-3-en-2-one (CAS 202074-24-6), with molecular formula C8H5F3O2 and molecular weight 190.02 g/mol. IUPAC: (E)-1,1,1-trifluoro-4-(furan-2-yl)but-3-en-2-one.
Chemical Property Profile of (E)-1,1,1-trifluoro-4-(furan-2-yl)but-3-en-2-one
Property Insights of (E)-1,1,1-trifluoro-4-(furan-2-yl)but-3-en-2-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1,1,1-trifluoro-4-(furan-2-yl)but-3-en-2-one. With a topological polar surface area (TPSA) of 30.2 Ų, (E)-1,1,1-trifluoro-4-(furan-2-yl)but-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1,1,1-trifluoro-4-(furan-2-yl)but-3-en-2-one has 0 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 (E)-1,1,1-trifluoro-4-(furan-2-yl)but-3-en-2-one?
The CAS number of (E)-1,1,1-trifluoro-4-(furan-2-yl)but-3-en-2-one is 202074-24-6.
What is the molecular formula of (E)-1,1,1-trifluoro-4-(furan-2-yl)but-3-en-2-one?
The molecular formula of (E)-1,1,1-trifluoro-4-(furan-2-yl)but-3-en-2-one is C8H5F3O2.
What is the molecular weight of (E)-1,1,1-trifluoro-4-(furan-2-yl)but-3-en-2-one?
The molecular weight of (E)-1,1,1-trifluoro-4-(furan-2-yl)but-3-en-2-one is 190.02 g/mol.
Where can I buy (E)-1,1,1-trifluoro-4-(furan-2-yl)but-3-en-2-one?
You can request a quote for (E)-1,1,1-trifluoro-4-(furan-2-yl)but-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)-1,1,1-trifluoro-4-(furan-2-yl)but-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1,1,1-trifluoro-4-(furan-2-yl)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.