Home Other Building Blocks 3-Trifluoromethylbutyric acid

3-Trifluoromethylbutyric acid

CAS No.:
348-75-4
Catalog Number:
AG007H62
Molecular Formula:
C5H7F3O2
Molecular Weight:
156.1031
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$94
- +
5g
95%
In Stock USA
United States
$325
- +
25g
95%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG007H62
Chemical Name:
3-Trifluoromethylbutyric acid
CAS Number:
348-75-4
Molecular Formula:
C5H7F3O2
Molecular Weight:
156.1031
MDL Number:
MFCD00039533
IUPAC Name:
4,4,4-trifluoro-3-methylbutanoic acid
InChI:
InChI=1S/C5H7F3O2/c1-3(2-4(9)10)5(6,7)8/h3H,2H2,1H3,(H,9,10)
InChI Key:
FFZMMBKGTNDVRX-UHFFFAOYSA-N
SMILES:
CC(C(F)(F)F)CC(=O)O
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.04g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
156.104g/mol
Monoisotopic Mass:
156.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Oxazoline-oxazinone oxidative rearrangement. divergent syntheses of (2S,3S)-4,4,4-trifluorovaline and (2S,4S)-5,5,5-Trifluoroleucine. The Journal of organic chemistry 20090807
Properties