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Home Other Building Blocks Ethyl 4,4,4-trifluoro-2-butynoate

Ethyl 4,4,4-trifluoro-2-butynoate

CAS No.:
79424-03-6
Catalog Number:
AG0034V2
Molecular Formula:
C6H5F3O2
Molecular Weight:
166.0979
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$69
- +
5g
98%
In Stock USA
United States
$275
- +
10g
98%
In Stock USA
United States
$525
- +
25g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG0034V2
Chemical Name:
Ethyl 4,4,4-trifluoro-2-butynoate
CAS Number:
79424-03-6
Molecular Formula:
C6H5F3O2
Molecular Weight:
166.0979
MDL Number:
MFCD00192167
IUPAC Name:
ethyl 4,4,4-trifluorobut-2-ynoate
InChI:
InChI=1S/C6H5F3O2/c1-2-11-5(10)3-4-6(7,8)9/h2H2,1H3
InChI Key:
SFDRHPQGYUYYNX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C#CC(F)(F)F
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.024g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.099g/mol
Monoisotopic Mass:
166.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Regioselectivity in intermolecular Pauson-Khand reactions of dissymmetric fluorinated alkynes. Organic letters 20101217
Properties