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1,1,1-Trifluoroethyl-PEG4-amine

CAT: 0804-HY-140243Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-140243Size:1 Each
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Description
111-Trifluoroethyl-PEG4-amine is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1872433-72-1
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/1-1-1-trifluoroethyl-peg4-amine.html
Solubility
10 mM in DMSO
Smiles
NCCOCCOCCOCCOCC(F)(F)F
Molecular Formula
C10H20F3NO4
Molecular Weight
275.27
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

1,1,1-Trifluoroethyl-PEG4-amine
CAS Number1872433-72-1
PubChem CID119058293
IUPAC Name2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethanamine
Molecular FormulaC10H20F3NO4
Molecular Weight275.27
XLogP-0.2
Topological Polar Surface Area62.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count18
Formal Charge0
Complexity181
SMILES
C(COCCOCCOCCOCC(F)(F)F)N
InChI
InChI=1S/C10H20F3NO4/c11-10(12,13)9-18-8-7-17-6-5-16-4-3-15-2-1-14/h1-9,14H2
InChIKey
JVFYELHCDPCZQY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1,1-Trifluoroethyl-PEG4-amine
CAS: 1872433-72-1
CID: 119058293
Formula: C10H20F3NO4
MW: 275.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight275.27
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass275.13444261
Monoisotopic Mass275.13444261
Topological Polar Surface Area62.9 Ų
Heavy Atom Count18
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes