Home Other Building Blocks Methanone, 1-piperazinyl[2-(trifluoromethyl)phenyl]-

Methanone, 1-piperazinyl[2-(trifluoromethyl)phenyl]-

CAS No.:
179534-78-2
Catalog Number:
AG002728
Molecular Formula:
C12H13F3N2O
Molecular Weight:
258.2396
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Product Description
Catalog Number:
AG002728
Chemical Name:
Methanone, 1-piperazinyl[2-(trifluoromethyl)phenyl]-
CAS Number:
179534-78-2
Molecular Formula:
C12H13F3N2O
Molecular Weight:
258.2396
MDL Number:
MFCD08442668
IUPAC Name:
piperazin-1-yl-[2-(trifluoromethyl)phenyl]methanone
InChI:
InChI=1S/C12H13F3N2O/c13-12(14,15)10-4-2-1-3-9(10)11(18)17-7-5-16-6-8-17/h1-4,16H,5-8H2
InChI Key:
VDWDAGOWIJYIGH-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(F)(F)F)N1CCNCC1
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.098g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.244g/mol
Monoisotopic Mass:
258.098g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties