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Home Other Building Blocks 1-Benzyl-3-(trifluoromethyl)piperidin-4-one-B6376

1-Benzyl-3-(trifluoromethyl)piperidin-4-one-B6376

CAS No.:
373604-45-6
Catalog Number:
AG019G7H
Molecular Formula:
C13H14F3NO
Molecular Weight:
257.2516
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Product Description
Catalog Number:
AG019G7H
Chemical Name:
1-Benzyl-3-(trifluoromethyl)piperidin-4-one-B6376
CAS Number:
373604-45-6
Molecular Formula:
C13H14F3NO
Molecular Weight:
257.2516
MDL Number:
MFCD21601941
IUPAC Name:
1-benzyl-3-(trifluoromethyl)piperidin-4-one
InChI:
InChI=1S/C13H14F3NO/c14-13(15,16)11-9-17(7-6-12(11)18)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChI Key:
YYABSTYPKWUVEJ-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1C(F)(F)F)Cc1ccccc1
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.103g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.256g/mol
Monoisotopic Mass:
257.103g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties