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4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid

Inquiry

Molecular Formula:

C11H5F17O2

Molecular Weight:

492.13

CAS Number:

34598-33-9

Catalog Number:

34598-33-9

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

Canonical 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.

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

492.0018082 g/mol

Monoisotopic Mass

492.0018082 g/mol

Topological Polar Surface Area

37.3Å²

Heavy Atom Count

Formal Charge

Complexity

647

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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