Home Other Building Blocks 4-Cyano-1-(trifluoroacetyl)piperidine

4-Cyano-1-(trifluoroacetyl)piperidine

CAS No.:
77940-79-5
Catalog Number:
AG005EA2
Molecular Formula:
C8H9F3N2O
Molecular Weight:
206.1651
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Product Description
Catalog Number:
AG005EA2
Chemical Name:
4-Cyano-1-(trifluoroacetyl)piperidine
CAS Number:
77940-79-5
Molecular Formula:
C8H9F3N2O
Molecular Weight:
206.1651
MDL Number:
MFCD09263322
IUPAC Name:
1-(2,2,2-trifluoroacetyl)piperidine-4-carbonitrile
InChI:
InChI=1S/C8H9F3N2O/c9-8(10,11)7(14)13-3-1-6(5-12)2-4-13/h6H,1-4H2
InChI Key:
MHJDPMGTFYYMMM-UHFFFAOYSA-N
SMILES:
N#CC1CCN(CC1)C(=O)C(F)(F)F
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.067g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.168g/mol
Monoisotopic Mass:
206.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties