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N,N'-Ethylenebis(trifluoroacetylacetoneimine)

HCID 193293
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Basic information

CAS
433-30-7
Standard SMILES
CC(CC(=O)C(F)(F)F)=NCCN=C(C)CC(=O)C(F)(F)F
InChIKey
LYSVOMGXCJGECZ-UHFFFAOYSA-N
Molecular formula
C12H14F6N2O2
Average molar mass
332.24 g/mol
Monoisotopic mass
332.09594667

Names & identifiers

Preferred name
N,N'-Ethylenebis(trifluoroacetylacetoneimine)
IUPAC
1,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one
English name
N,N'-ethylenebis(trifluoroacetylacetoneimine)
Molecular formula
C12H14F6N2O2
Molecular weight
332.24

Names & synonyms

N,N'-Ethylenebis(trifluoroacetylacetoneimine)433-30-72-Pentanone, 4,4'-(1,2-ethanediyldinitrilo)bis(1,1,1-trifluoro-2-Pentanone, 4,4'-(1,2-ethanediyldinitrilo)bis[1,1,1-trifluoro-H2-Entfa21,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-oneLYSVOMGXCJGECZ-OKXCLTPOSA-NN,N'-Ethylenebis(1,1,1-trifluoro-4-iminopentan-2-one)2-Pentanone, 4,4'-(ethylenedinitrilo)bis*1,1,1-trifluoro-2-Pentanone, 4,4'-(1,2-ethanediyldinitrilo)bis*1,1,1-trifluoro-(4E)-1,1,1-Trifluoro-4-[((E)-2-([(E)-4,4,4-trifluoro-1-methyl-3-oxobutylidene]amino)ethyl)imino]-2-pentanone #N,N'-Bis(1-methyl-3-oxo-4,4,4-trifluorobutylidene)ethylenediamine
Show more names
N,N'-Bis(1-methyl-3-oxo-4,4,4-trifluorobutylidene)-1,2-ethanediamine

Database identifiers

CAS
433-30-7
PubChem CID
193293
Nikkaji
J125.828A

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
58.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
10
Rotatable bonds
7
Heavy atoms
22
Formal charge
0
Complexity
433

Physicochemical properties

Melting point
157 °C · 157 °C
Boiling point
311.317 · 311.317±42.00 °C(Press: 760.00 Torr)(predicted)
Density
1.297 · 1.297±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
5.68 · 5.680±0.50(predicted)

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