Home Halogens 3-bromo-1-(2,2,2-trifluoroethyl)piperidin-2-one

3-bromo-1-(2,2,2-trifluoroethyl)piperidin-2-one

CAS No.:
178946-36-6
Catalog Number:
AG01A1JY
Molecular Formula:
C7H9BrF3NO
Molecular Weight:
260.0517
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Product Description
Catalog Number:
AG01A1JY
Chemical Name:
3-bromo-1-(2,2,2-trifluoroethyl)piperidin-2-one
CAS Number:
178946-36-6
Molecular Formula:
C7H9BrF3NO
Molecular Weight:
260.0517
MDL Number:
MFCD19678916
IUPAC Name:
3-bromo-1-(2,2,2-trifluoroethyl)piperidin-2-one
InChI:
InChI=1S/C7H9BrF3NO/c8-5-2-1-3-12(6(5)13)4-7(9,10)11/h5H,1-4H2
InChI Key:
BKEPLTVGMWTVSD-UHFFFAOYSA-N
SMILES:
BrC1CCCN(C1=O)CC(F)(F)F
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.982g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.054g/mol
Monoisotopic Mass:
258.982g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties