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Home > Fluorides > 100508-24-5
100508-24-5 | Piperazine, 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-phenyl-
CAS No: 100508-24-5 Catalog No: AG000271 MDL No:
Product Description
Catalog Number:
AG000271
Chemical Name:
Piperazine, 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-phenyl-
CAS Number:
100508-24-5
Molecular Formula:
C25H26F2N2O
Molecular Weight:
408.4835
IUPAC Name:
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-phenylpiperazine
InChI:
InChI=1S/C25H26F2N2O/c26-22-10-6-20(7-11-22)25(21-8-12-23(27)13-9-21)30-19-18-28-14-16-29(17-15-28)24-4-2-1-3-5-24/h1-13,25H,14-19H2
InChI Key:
UIJUWLVWGZVFNM-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(c1ccc(cc1)F)OCCN1CCN(CC1)c1ccccc1
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.201g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.493g/mol
Monoisotopic Mass:
408.201g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
15.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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