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Hexafluoro-2-butyne

CAS No.:
692-50-2
Catalog Number:
AG003QW3
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003QW3
Chemical Name:
Hexafluoro-2-butyne
CAS Number:
692-50-2
MDL Number:
MFCD00039264
IUPAC Name:
1,1,1,4,4,4-hexafluorobut-2-yne
InChI:
InChI=1S/C4F6/c5-3(6,7)1-2-4(8,9)10
InChI Key:
WBCLXFIDEDJGCC-UHFFFAOYSA-N
EC Number:
211-732-7
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.99g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.034g/mol
Monoisotopic Mass:
161.99g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Electronic excitation to singlet states of 1,3-C4F6, c-C4F6 and 2-C4F6 by electron impact--electron energy-loss spectroscopy and ab initio calculations. The journal of physical chemistry. A 20121101
Reactivity of biarylazacyclooctynones in copper-free click chemistry. Journal of the American Chemical Society 20120606
A unique reaction pathway of fluorine-substituted ethyl groups on Cu(111): successive alpha,alpha-fluoride elimination. Journal of the American Chemical Society 20041006
Properties