3-Octen-2-one, 1,1,1-trifluoro-4-methyl-, (Z)-
TL;DR: 3-Octen-2-one, 1,1,1-trifluoro-4-methyl-, (Z)- (CAS 125118-57-2) is a chemical compound with molecular formula C9H13F3O and molecular weight 194.09184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-1,1,1-trifluoro-4-methyloct-3-en-2-one
Also Known As: 3-Octen-2-one, 1,1,1-trifluoro-4-methyl-, (Z)-, (Z)-1,1,1-trifluoro-4-methyloct-3-en-2-one, Trifluoromethyl[(Z)-2-methyl-1-hexenyl] ketone, (Z)-1,1,1-trifluoro-4-methyl-oct-3-en-2-one, (3Z)-1,1,1-TRIFLUORO-4-METHYLOCT-3-EN-2-ONE
Technical Specifications
| Molecular Formula | C9H13F3O |
| Molecular Weight | 194.09184 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.09184 Da |
| Heavy Atoms | 13 |
| Complexity | 203.0 |
| SMILES | CCCC/C(=C\C(=O)C(F)(F)F)/C |
| InChIKey | HDHUWDPCBOMCQA-SREVYHEPSA-N |
Chemical Property Profile of 3-Octen-2-one, 1,1,1-trifluoro-4-methyl-, (Z)-
Property Insights of 3-Octen-2-one, 1,1,1-trifluoro-4-methyl-, (Z)-
The XLogP value of 4.0 indicates that 3-Octen-2-one, 1,1,1-trifluoro-4-methyl-, (Z)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Octen-2-one, 1,1,1-trifluoro-4-methyl-, (Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Octen-2-one, 1,1,1-trifluoro-4-methyl-, (Z)- has 0 hydrogen bond donor(s) and 4 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-Octen-2-one, 1,1,1-trifluoro-4-methyl-, (Z)-?
The CAS number of 3-Octen-2-one, 1,1,1-trifluoro-4-methyl-, (Z)- is 125118-57-2.
What is the molecular formula of 3-Octen-2-one, 1,1,1-trifluoro-4-methyl-, (Z)-?
The molecular formula of 3-Octen-2-one, 1,1,1-trifluoro-4-methyl-, (Z)- is C9H13F3O.
What is the molecular weight of 3-Octen-2-one, 1,1,1-trifluoro-4-methyl-, (Z)-?
The molecular weight of 3-Octen-2-one, 1,1,1-trifluoro-4-methyl-, (Z)- is 194.09184 g/mol.
Where can I buy 3-Octen-2-one, 1,1,1-trifluoro-4-methyl-, (Z)-?
You can request a quote for 3-Octen-2-one, 1,1,1-trifluoro-4-methyl-, (Z)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Octen-2-one, 1,1,1-trifluoro-4-methyl-, (Z)-?
Yes, CoreyChem provides custom synthesis services for 3-Octen-2-one, 1,1,1-trifluoro-4-methyl-, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.