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Home > Fluorides > 1027258-48-5
1027258-48-5 | Ethanone, 2,2,2-trifluoro-1-[4-(methylsulfonyl)-1-piperazinyl]-
CAS No: 1027258-48-5 Catalog No: AG00087X MDL No:
Product Description
Catalog Number:
AG00087X
Chemical Name:
Ethanone, 2,2,2-trifluoro-1-[4-(methylsulfonyl)-1-piperazinyl]-
CAS Number:
1027258-48-5
Molecular Formula:
C7H11F3N2O3S
Molecular Weight:
260.2340
IUPAC Name:
2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone
InChI:
InChI=1S/C7H11F3N2O3S/c1-16(14,15)12-4-2-11(3-5-12)6(13)7(8,9)10/h2-5H2,1H3
InChI Key:
DWZMBJYYFKMZII-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)N1CCN(CC1)S(=O)(=O)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.231g/mol
Monoisotopic Mass:
260.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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