Home Other Building Blocks 3,3,3-trifluoro-1-(piperazin-1-yl)propan-1-one hydrochloride

3,3,3-trifluoro-1-(piperazin-1-yl)propan-1-one hydrochloride

CAS No.:
1221722-69-5
Catalog Number:
AG01A7QD
Molecular Formula:
C7H12ClF3N2O
Molecular Weight:
232.6312
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Product Description
Catalog Number:
AG01A7QD
Chemical Name:
3,3,3-trifluoro-1-(piperazin-1-yl)propan-1-one hydrochloride
CAS Number:
1221722-69-5
Molecular Formula:
C7H12ClF3N2O
Molecular Weight:
232.6312
MDL Number:
MFCD14705777
IUPAC Name:
3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one;hydrochloride
InChI:
InChI=1S/C7H11F3N2O.ClH/c8-7(9,10)5-6(13)12-3-1-11-2-4-12;/h11H,1-5H2;1H
InChI Key:
VSAYMYVJEZKLEG-UHFFFAOYSA-N
SMILES:
O=C(N1CCNCC1)CC(F)(F)F.Cl
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
232.631g/mol
Monoisotopic Mass:
232.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties