3-Butenoic acid, 3,4-difluoro-2,2-dimethyl-, ethyl ester, (E)-
TL;DR: 3-Butenoic acid, 3,4-difluoro-2,2-dimethyl-, ethyl ester, (E)- (CAS 85066-79-1) is a chemical compound with molecular formula C8H12F2O2 and molecular weight 178.08054 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (E)-3,4-difluoro-2,2-dimethylbut-3-enoate
Also Known As: 3-Butenoic acid, 3,4-difluoro-2,2-dimethyl-, ethyl ester, (E)-, ethyl (3E)-3,4-difluoro-2,2-dimethylbut-3-enoate, ethyl (E)-3,4-difluoro-2,2-dimethylbut-3-enoate, (E)-3,4-Difluoro-2,2-dimethyl-3-butenoic acid ethyl ester, (E)-3,4-Difluoro-2,2-dimethyl-but-3-enoic acid ethyl ester
Technical Specifications
| Molecular Formula | C8H12F2O2 |
| Molecular Weight | 178.08054 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.08054 Da |
| Heavy Atoms | 12 |
| Complexity | 197.0 |
| SMILES | CCOC(=O)C(C)(C)/C(=C\F)/F |
| InChIKey | JNHIVUCSVRKEPR-AATRIKPKSA-N |
Chemical Property Profile of 3-Butenoic acid, 3,4-difluoro-2,2-dimethyl-, ethyl ester, (E)-
Property Insights of 3-Butenoic acid, 3,4-difluoro-2,2-dimethyl-, ethyl ester, (E)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butenoic acid, 3,4-difluoro-2,2-dimethyl-, ethyl ester, (E)-. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Butenoic acid, 3,4-difluoro-2,2-dimethyl-, ethyl ester, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butenoic acid, 3,4-difluoro-2,2-dimethyl-, ethyl ester, (E)- 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-Butenoic acid, 3,4-difluoro-2,2-dimethyl-, ethyl ester, (E)-?
The CAS number of 3-Butenoic acid, 3,4-difluoro-2,2-dimethyl-, ethyl ester, (E)- is 85066-79-1.
What is the molecular formula of 3-Butenoic acid, 3,4-difluoro-2,2-dimethyl-, ethyl ester, (E)-?
The molecular formula of 3-Butenoic acid, 3,4-difluoro-2,2-dimethyl-, ethyl ester, (E)- is C8H12F2O2.
What is the molecular weight of 3-Butenoic acid, 3,4-difluoro-2,2-dimethyl-, ethyl ester, (E)-?
The molecular weight of 3-Butenoic acid, 3,4-difluoro-2,2-dimethyl-, ethyl ester, (E)- is 178.08054 g/mol.
Where can I buy 3-Butenoic acid, 3,4-difluoro-2,2-dimethyl-, ethyl ester, (E)-?
You can request a quote for 3-Butenoic acid, 3,4-difluoro-2,2-dimethyl-, ethyl ester, (E)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Butenoic acid, 3,4-difluoro-2,2-dimethyl-, ethyl ester, (E)-?
Yes, CoreyChem provides custom synthesis services for 3-Butenoic acid, 3,4-difluoro-2,2-dimethyl-, ethyl ester, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.