Home Carboxys tert-Butyl 4-cyano-4-(2,2,2-trifluoroacetamido)piperidine-1-carboxylate

tert-Butyl 4-cyano-4-(2,2,2-trifluoroacetamido)piperidine-1-carboxylate

CAS No.:
871115-20-7
Catalog Number:
AG00IECX
Molecular Formula:
C13H18F3N3O3
Molecular Weight:
321.2955
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$101
- +
250mg
95%
In Stock USA
United States
$177
- +
1g
95%
In Stock USA
United States
$353
- +
5g
95%
In Stock USA
United States
$1059
- +
Product Description
Catalog Number:
AG00IECX
Chemical Name:
tert-Butyl 4-cyano-4-(2,2,2-trifluoroacetamido)piperidine-1-carboxylate
CAS Number:
871115-20-7
Molecular Formula:
C13H18F3N3O3
Molecular Weight:
321.2955
MDL Number:
MFCD24466403
IUPAC Name:
tert-butyl 4-cyano-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate
InChI:
InChI=1S/C13H18F3N3O3/c1-11(2,3)22-10(21)19-6-4-12(8-17,5-7-19)18-9(20)13(14,15)16/h4-7H2,1-3H3,(H,18,20)
InChI Key:
DNISAVDKJKYXOM-UHFFFAOYSA-N
SMILES:
N#CC1(CCN(CC1)C(=O)OC(C)(C)C)NC(=O)C(F)(F)F
Properties
Complexity:
494  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.13g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
321.3g/mol
Monoisotopic Mass:
321.13g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties