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89245-13-6 | Piperazine, 1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-
CAS No: 89245-13-6 Catalog No: AG0042IS MDL No:
Product Description
Catalog Number:
AG0042IS
Chemical Name:
Piperazine, 1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-
CAS Number:
89245-13-6
Molecular Formula:
C8H9F7N2O
Molecular Weight:
282.1587
IUPAC Name:
2,2,3,3,4,4,4-heptafluoro-1-piperazin-1-ylbutan-1-one
InChI:
InChI=1S/C8H9F7N2O/c9-6(10,7(11,12)8(13,14)15)5(18)17-3-1-16-2-4-17/h16H,1-4H2
InChI Key:
NEIFNBMQYNENQZ-UHFFFAOYSA-N
SMILES:
O=C(C(C(C(F)(F)F)(F)F)(F)F)N1CCNCC1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.06g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.162g/mol
Monoisotopic Mass:
282.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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