3-Oxo-1-(phenylamino)-4,4,4-trifluorobut-1-ene
TL;DR: 3-Oxo-1-(phenylamino)-4,4,4-trifluorobut-1-ene (CAS 134219-71-9) is a chemical compound with molecular formula C10H8F3NO and molecular weight 215.0558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-4-anilino-1,1,1-trifluorobut-3-en-2-one
Also Known As: 3-Oxo-1-(phenylamino)-4,4,4-trifluorobut-1-ene, (3E)-1,1,1-trifluoro-4-(phenylamino)but-3-en-2-one, (E)-4-anilino-1,1,1-trifluorobut-3-en-2-one, 1,1,1-trifluoro-4-(phenylamino)but-3-en-2-one, (E)-4-anilino-1,1,1-trifluoro-3-buten-2-one
Technical Specifications
| Molecular Formula | C10H8F3NO |
| Molecular Weight | 215.0558 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.0558 Da |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
| SMILES | C1=CC=C(C=C1)N/C=C/C(=O)C(F)(F)F |
| InChIKey | PTCXQMALTDIQMW-VOTSOKGWSA-N |
Chemical Property Profile of 3-Oxo-1-(phenylamino)-4,4,4-trifluorobut-1-ene
Property Insights of 3-Oxo-1-(phenylamino)-4,4,4-trifluorobut-1-ene
The XLogP value of 3.4 indicates that 3-Oxo-1-(phenylamino)-4,4,4-trifluorobut-1-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3-Oxo-1-(phenylamino)-4,4,4-trifluorobut-1-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-1-(phenylamino)-4,4,4-trifluorobut-1-ene has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Oxo-1-(phenylamino)-4,4,4-trifluorobut-1-ene?
The CAS number of 3-Oxo-1-(phenylamino)-4,4,4-trifluorobut-1-ene is 134219-71-9.
What is the molecular formula of 3-Oxo-1-(phenylamino)-4,4,4-trifluorobut-1-ene?
The molecular formula of 3-Oxo-1-(phenylamino)-4,4,4-trifluorobut-1-ene is C10H8F3NO.
What is the molecular weight of 3-Oxo-1-(phenylamino)-4,4,4-trifluorobut-1-ene?
The molecular weight of 3-Oxo-1-(phenylamino)-4,4,4-trifluorobut-1-ene is 215.0558 g/mol.
Where can I buy 3-Oxo-1-(phenylamino)-4,4,4-trifluorobut-1-ene?
You can request a quote for 3-Oxo-1-(phenylamino)-4,4,4-trifluorobut-1-ene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Oxo-1-(phenylamino)-4,4,4-trifluorobut-1-ene?
Yes, CoreyChem provides custom synthesis services for 3-Oxo-1-(phenylamino)-4,4,4-trifluorobut-1-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.