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Home > Fluorides > 114387-36-9
114387-36-9 | Piperazine, 2,6-dimethyl-1,4-bis[(2,3,4,5,6-pentafluorophenyl)methyl]-
CAS No: 114387-36-9 Catalog No: AG000B7X MDL No:
Product Description
Catalog Number:
AG000B7X
Chemical Name:
Piperazine, 2,6-dimethyl-1,4-bis[(2,3,4,5,6-pentafluorophenyl)methyl]-
CAS Number:
114387-36-9
Molecular Formula:
C20H16F10N2
Molecular Weight:
474.3385
IUPAC Name:
2,6-dimethyl-1,4-bis[(2,3,4,5,6-pentafluorophenyl)methyl]piperazine
InChI:
InChI=1S/C20H16F10N2/c1-7-3-31(5-9-11(21)15(25)19(29)16(26)12(9)22)4-8(2)32(7)6-10-13(23)17(27)20(30)18(28)14(10)24/h7-8H,3-6H2,1-2H3
InChI Key:
ZXXDWCCYLIOADL-UHFFFAOYSA-N
SMILES:
CC1CN(CC(N1Cc1c(F)c(F)c(c(c1F)F)F)C)Cc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.115g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
474.346g/mol
Monoisotopic Mass:
474.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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