Home Other Building Blocks 1-Benzyl-3-(2,2,2-trifluoro-acetyl)piperidin-4-one HCl

1-Benzyl-3-(2,2,2-trifluoro-acetyl)piperidin-4-one HCl

CAS No.:
1198285-40-3
Catalog Number:
AG008TQL
Molecular Formula:
C14H15ClF3NO2
Molecular Weight:
321.7226
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Product Description
Catalog Number:
AG008TQL
Chemical Name:
1-Benzyl-3-(2,2,2-trifluoro-acetyl)piperidin-4-one HCl
CAS Number:
1198285-40-3
Molecular Formula:
C14H15ClF3NO2
Molecular Weight:
321.7226
MDL Number:
MFCD11840353
IUPAC Name:
1-benzyl-3-(2,2,2-trifluoroacetyl)piperidin-4-one;hydrochloride
InChI:
InChI=1S/C14H14F3NO2.ClH/c15-14(16,17)13(20)11-9-18(7-6-12(11)19)8-10-4-2-1-3-5-10;/h1-5,11H,6-9H2;1H
InChI Key:
YJHAHYKXUFGTBE-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1C(=O)C(F)(F)F)Cc1ccccc1.Cl
Properties
Complexity:
375  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.074g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
321.724g/mol
Monoisotopic Mass:
321.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties