Home Other Building Blocks 4,4,4-Trifluorobutanal

4,4,4-Trifluorobutanal

CAS No.:
406-87-1
Catalog Number:
AG0038R4
Molecular Formula:
C4H5F3O
Molecular Weight:
126.0771
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$166
- +
1g
95%
1 week
United States
$359
- +
Product Description
Catalog Number:
AG0038R4
Chemical Name:
4,4,4-Trifluorobutanal
CAS Number:
406-87-1
Molecular Formula:
C4H5F3O
Molecular Weight:
126.0771
MDL Number:
MFCD00190643
IUPAC Name:
4,4,4-trifluorobutanal
InChI:
InChI=1S/C4H5F3O/c5-4(6,7)2-1-3-8/h3H,1-2H2
InChI Key:
SCJCDNUXDWFVFI-UHFFFAOYSA-N
SMILES:
O=CCCC(F)(F)F
Properties
Complexity:
75.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.029g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.078g/mol
Monoisotopic Mass:
126.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Ethionamide boosters: synthesis, biological activity, and structure-activity relationships of a series of 1,2,4-oxadiazole EthR inhibitors. Journal of medicinal chemistry 20110428
Properties