4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid
Product Information
Molecular Formula
C11H5F17O2
Molecular Weight
492.13
Description
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid (CAS# 34598-33-9) is a derivative of Undecanoic Acid (U788850) which is a saturated fatty acid. It may be used to activate orphan G protein-coupled receptor GPR40.
Synonyms
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoic acid
IUPAC Name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoic acid
SMILES
C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O
InChI
InChI=1S/C11H5F17O2/c12-4(13,2-1-3(29)30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H2,(H,29,30)
InChI Key
JZRCRCFPVAXHHQ-UHFFFAOYSA-N
Boiling Point
244.9 °C at 760 mmHg
Melting Point
97 °C
Purity
> 97.0 % (GC) (T)
Density
1.652 g/cm3
Appearance
White to almost white powder to crystal
LogP
5.86060
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
5.9
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
19
Rotatable Bond Count
9
Exact Mass
492.0018082 g/mol
Monoisotopic Mass
492.0018082 g/mol
Topological Polar Surface Area
37.3Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
647
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 |
|---|---|---|
| WO-2022015662-A1 | Coronavirus immunogenic t cell epitope compositions and uses thereof | 2020-07-12 |
| JP-2022014291-A | Fluoropolyethyleneimine | 2020-07-06 |
| US-2020316211-A1 | Locally acting toll-like receptor 7 (tlr7) and/or tlr8 agonist immunotherapy compounds and their uses | 2019-04-01 |
| WO-2020205996-A2 | Locally acting toll-like receptor 7 (tlr7) and/or tlr8 agonist immunotherapy compounds and their uses | 2019-04-01 |
| CA-3135913-A1 | Locally acting toll-like receptor 7 (tlr7) and/or tlr8 agonist immunotherapy compounds and their uses | 2019-04-01 |
| EP-3946635-A2 | Locally acting toll-like receptor 7 (tlr7) and/or tlr8 agonist immunotherapy compounds and their uses | 2019-04-01 |
| JP-2020066727-A | Composition, film, laminated structure, light emitting device and display | 2018-10-26 |
| WO-2020085364-A1 | Composition, film, laminated structure, light-emitting device, and display | 2018-10-26 |
| TW-202033734-A | Composition, film, laminated structure, light-emitting device and display | 2018-10-26 |
| JP-2020015802-A | Ink and light emitting element | 2018-07-24 |
