3-Butenoic acid, 3,4,4-trifluoro-2,2-dimethyl-
TL;DR: 3-Butenoic acid, 3,4,4-trifluoro-2,2-dimethyl- (CAS 144194-00-3) is a chemical compound with molecular formula C6H7F3O2 and molecular weight 168.03981 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4,4-trifluoro-2,2-dimethylbut-3-enoic acid
Also Known As: 3,4,4-Trifluoro-2,2-dimethyl-3-butenoic acid, 3-Butenoic acid, 3,4,4-trifluoro-2,2-dimethyl-, 3,4,4-trifluoro-2,2-dimethylbut-3-enoic acid, 3-Butenoic acid,3,4,4-trifluoro-2,2-dimethyl-, 3,4,4-TRIFLUORO-2,2-DIMETHYL-BUT-3-ENOIC ACID
Technical Specifications
| Molecular Formula | C6H7F3O2 |
| Molecular Weight | 168.03981 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.03981 Da |
| Heavy Atoms | 11 |
| Complexity | 204.0 |
| SMILES | CC(C)(C(=C(F)F)F)C(=O)O |
| InChIKey | KAWXEHDKULHUAA-UHFFFAOYSA-N |
Chemical Property Profile of 3-Butenoic acid, 3,4,4-trifluoro-2,2-dimethyl-
Property Insights of 3-Butenoic acid, 3,4,4-trifluoro-2,2-dimethyl-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butenoic acid, 3,4,4-trifluoro-2,2-dimethyl-. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Butenoic acid, 3,4,4-trifluoro-2,2-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butenoic acid, 3,4,4-trifluoro-2,2-dimethyl- 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-Butenoic acid, 3,4,4-trifluoro-2,2-dimethyl-?
The CAS number of 3-Butenoic acid, 3,4,4-trifluoro-2,2-dimethyl- is 144194-00-3.
What is the molecular formula of 3-Butenoic acid, 3,4,4-trifluoro-2,2-dimethyl-?
The molecular formula of 3-Butenoic acid, 3,4,4-trifluoro-2,2-dimethyl- is C6H7F3O2.
What is the molecular weight of 3-Butenoic acid, 3,4,4-trifluoro-2,2-dimethyl-?
The molecular weight of 3-Butenoic acid, 3,4,4-trifluoro-2,2-dimethyl- is 168.03981 g/mol.
Where can I buy 3-Butenoic acid, 3,4,4-trifluoro-2,2-dimethyl-?
You can request a quote for 3-Butenoic acid, 3,4,4-trifluoro-2,2-dimethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Butenoic acid, 3,4,4-trifluoro-2,2-dimethyl-?
Yes, CoreyChem provides custom synthesis services for 3-Butenoic acid, 3,4,4-trifluoro-2,2-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.