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Home > Fluorides > 845616-81-1
845616-81-1 | 1-(3-Fluoro-5-trifluoromethylpyridin-2-yl)piperazine
CAS No: 845616-81-1 Catalog No: AG0039NA MDL No:
Product Description
Catalog Number:
AG0039NA
Chemical Name:
1-(3-Fluoro-5-trifluoromethylpyridin-2-yl)piperazine
CAS Number:
845616-81-1
Molecular Formula:
C10H11F4N3
Molecular Weight:
249.2081
IUPAC Name:
1-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]piperazine
InChI:
InChI=1S/C10H11F4N3/c11-8-5-7(10(12,13)14)6-16-9(8)17-3-1-15-2-4-17/h5-6,15H,1-4H2
InChI Key:
MUONIPDFCCBLEH-UHFFFAOYSA-N
SMILES:
Fc1cc(cnc1N1CCNCC1)C(F)(F)F
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.213g/mol
Monoisotopic Mass:
249.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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