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Home Other Building Blocks 4,4,4-Trifluoro-1-butanol

4,4,4-Trifluoro-1-butanol

CAS No.:
461-18-7
Catalog Number:
AG0033UE
Molecular Formula:
C4H7F3O
Molecular Weight:
128.0930
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$20
- +
5g
97%
In Stock USA
United States
$44
- +
25g
95%
In Stock USA
United States
$198
- +
Product Description
Catalog Number:
AG0033UE
Chemical Name:
4,4,4-Trifluoro-1-butanol
CAS Number:
461-18-7
Molecular Formula:
C4H7F3O
Molecular Weight:
128.0930
MDL Number:
MFCD00041483
IUPAC Name:
4,4,4-trifluorobutan-1-ol
InChI:
InChI=1S/C4H7F3O/c5-4(6,7)2-1-3-8/h8H,1-3H2
InChI Key:
VKRFUGHXKNNIJO-UHFFFAOYSA-N
SMILES:
OCCCC(F)(F)F
Properties
Complexity:
58.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.045g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
128.094g/mol
Monoisotopic Mass:
128.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Synthesis and evaluation of β-carboline derivatives as potential monoamine oxidase inhibitors. Bioorganic & medicinal chemistry 20110101
Synthesis, structural reassignment, and biological activity of type B MAO inhibitors based on the 5H-indeno[1,2-c]pyridazin-5-one core. Journal of medicinal chemistry 20060615
Properties