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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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