Home Other Building Blocks 3-hydroxy-3-(trifluoromethyl)piperazin-2-one

3-hydroxy-3-(trifluoromethyl)piperazin-2-one

CAS No.:
89972-18-9
Catalog Number:
AG019NW4
Molecular Formula:
C5H7F3N2O2
Molecular Weight:
184.1165
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Product Description
Catalog Number:
AG019NW4
Chemical Name:
3-hydroxy-3-(trifluoromethyl)piperazin-2-one
CAS Number:
89972-18-9
Molecular Formula:
C5H7F3N2O2
Molecular Weight:
184.1165
MDL Number:
MFCD06660751
IUPAC Name:
3-hydroxy-3-(trifluoromethyl)piperazin-2-one
InChI:
InChI=1S/C5H7F3N2O2/c6-5(7,8)4(12)3(11)9-1-2-10-4/h10,12H,1-2H2,(H,9,11)
InChI Key:
QCMGTMICABTCGL-UHFFFAOYSA-N
SMILES:
FC(C1(O)NCCNC1=O)(F)F
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.046g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
184.118g/mol
Monoisotopic Mass:
184.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties