4,5,5-TRIFLUOROPENT-4-ENOIC ACID 97%
Product Information
Molecular Formula
C5H5O2F3
Molecular Weight
154.09
Description
Applications: 4,5,5-Trifluoropent-4-enoic acid is used in the prearation of polymer electrolyte for lithium ion battery.
Synonyms
4,5,5-Trifluoro-4-pentenoic acid
IUPAC Name
4,5,5-trifluoropent-4-enoic acid
SMILES
C(CC(=O)O)C(=C(F)F)F
InChI
InChI=1S/C5H5F3O2/c6-3(5(7)8)1-2-4(9)10/h1-2H2,(H,9,10)
InChI Key
YWHZHTHRRXAUFQ-UHFFFAOYSA-N
Boiling Point
205.1±40.0 °C(Predicted)
Density
1.336±0.06 g/cm3(Predicted)
Computed Properties
XLogP3
0.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
154.02416388 g/mol
Monoisotopic Mass
154.02416388 g/mol
Topological Polar Surface Area
37.3Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
160
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-111138596-A | Polymer electrolyte and lithium ion battery comprising same | 2019-12-23 |
| WO-2021129583-A1 | Polymer electrolyte, and lithium ion battery comprising same | 2019-12-23 |
| CN-110911750-A | High-voltage lithium ion battery electrolyte, additive and preparation method of additive | 2019-12-03 |
| AU-2013309872-A1 | Amine salt and crystals thereof | 2012-08-31 |
| AU-2013309872-B2 | Amine salt and crystals thereof | 2012-08-31 |
| CA-2882732-A1 | A 2-[(2-{(1r,5r)-2-oxo-5-[(1e,4s)-7,8,8-trifluoro-4-hydroxy-4-methyl-1,7-octadiene-1-yl]cyclopentyl}ethyl)thio}-1,3-thiazole-4-carboxylic acid 4-piperidinemethanol salt and crystals thereof | 2012-08-31 |
| DK-2891651-T3 | AMINAL SALT AND CRYSTALL THEREOF | 2012-08-31 |
| EP-2891651-A1 | Amine salt and crystals thereof | 2012-08-31 |
| EP-2891651-B1 | Amine salt and crystals thereof | 2012-08-31 |
| HU-E032816-T2 | Amine salt and its crystals | 2012-08-31 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 4737 | 1976-04-29 | Bifurcated hydrogen bonds and flip--flop conformation in a modified nucleic acid base, gc6 Ade | Nature |
