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1,1,1-Trifluoroethyl-PEG4-azide

CAT: 0931-T13988-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T13988-01Size:100 mg
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CAS Number
1817735-35-5
Target
Others, PROTAC Linker
Related Pathways
PROTAC, Others
Bioactivity
111-Trifluoroethyl-PEG4-azide is a polyethylene glycol (PEG) derivative featuring a trifluoroethyl moiety and an azide functional group. It is utilized as a PROTAC linker, specifically designed for the synthesis of proteolysis-targeting chimeras (PROTACs) [1].
Smiles
[N-]=[N+]=NCCOCCOCCOCCOCC(F)(F)F
Molecular Formula
C10H18F3N3O4
Molecular Weight
301.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,1,1-Trifluoroethyl-PEG4-azide
CAS Number1817735-35-5
PubChem CID102514819
IUPAC Name2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-1,1,1-trifluoroethane
Molecular FormulaC10H18F3N3O4
Molecular Weight301.26
XLogP1.7
Topological Polar Surface Area51.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Heavy Atom Count20
Formal Charge0
Complexity273
SMILES
C(COCCOCCOCCOCC(F)(F)F)N=[N+]=[N-]
InChI
InChI=1S/C10H18F3N3O4/c11-10(12,13)9-20-8-7-19-6-5-18-4-3-17-2-1-15-16-14/h1-9H2
InChIKey
BHMFBNPYALGJKL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1,1-Trifluoroethyl-PEG4-azide
CAS: 1817735-35-5
CID: 102514819
Formula: C10H18F3N3O4
MW: 301.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight301.26
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Exact Mass301.12494055
Monoisotopic Mass301.12494055
Topological Polar Surface Area51.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity273
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