1-benzyl-3,3-difluoropiperidin-4-one


Chemical Name: 1-benzyl-3,3-difluoropiperidin-4-one
CAS Number: 1039741-54-2
Product Number: AG008Z32(AGN-PC-086FUM)
Synonyms:
MDL No:
Molecular Formula: C12H13F2NO
Molecular Weight: 225.2345

Identification/Properties


Computed Properties
Molecular Weight:
225.239g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
225.097g/mol
Monoisotopic Mass:
225.097g/mol
Topological Polar Surface Area:
20.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
262
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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