(3E)-1,1,1-trifluoro-4-phenylbut-3-en-2-one
TL;DR: (3E)-1,1,1-trifluoro-4-phenylbut-3-en-2-one (CAS 3108-32-5) is a chemical compound with molecular formula C10H7F3O and molecular weight 200.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-4-phenylbut-3-en-2-one
Also Known As: 1,1,1-trifluoro-4-phenylbut-3-en-2-one, styryl trifluoromethyl ketone, 1,1,1-trifluoro-4-phenyl-but-3-en-2-one, 3-Buten-2-one, 1,1,1-trifluoro-4-phenyl-, 1,1,1-trifluoro-4-phenyl-3-buten-2-one
| Molecular Formula | C10H7F3O |
|---|---|
| Molecular Weight | 200.04 g/mol |
| LogP | 2.8312 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.0449 |
| Heavy Atoms | 14 |
| Complexity | 338.1348 |
Chemical Identifiers
| CAS Number | 3108-32-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC(=O)C(F)(F)F |
Product Overview
(3E)-1,1,1-trifluoro-4-phenylbut-3-en-2-one (CAS 3108-32-5), with molecular formula C10H7F3O and molecular weight 200.04 g/mol. IUPAC: 1,1,1-trifluoro-4-phenylbut-3-en-2-one.
Chemical Property Profile of (3E)-1,1,1-trifluoro-4-phenylbut-3-en-2-one
Property Insights of (3E)-1,1,1-trifluoro-4-phenylbut-3-en-2-one
The XLogP value of 2.8312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-1,1,1-trifluoro-4-phenylbut-3-en-2-one. With a topological polar surface area (TPSA) of 17.07 Ų, (3E)-1,1,1-trifluoro-4-phenylbut-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-1,1,1-trifluoro-4-phenylbut-3-en-2-one has 0 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 (3E)-1,1,1-trifluoro-4-phenylbut-3-en-2-one?
The CAS number of (3E)-1,1,1-trifluoro-4-phenylbut-3-en-2-one is 3108-32-5.
What is the molecular formula of (3E)-1,1,1-trifluoro-4-phenylbut-3-en-2-one?
The molecular formula of (3E)-1,1,1-trifluoro-4-phenylbut-3-en-2-one is C10H7F3O.
What is the molecular weight of (3E)-1,1,1-trifluoro-4-phenylbut-3-en-2-one?
The molecular weight of (3E)-1,1,1-trifluoro-4-phenylbut-3-en-2-one is 200.04 g/mol.
Where can I buy (3E)-1,1,1-trifluoro-4-phenylbut-3-en-2-one?
You can request a quote for (3E)-1,1,1-trifluoro-4-phenylbut-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 (3E)-1,1,1-trifluoro-4-phenylbut-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-1,1,1-trifluoro-4-phenylbut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.