1,1,1,5,5,5-hexafluoro-4-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one

C12H8F12N2O2 — CID 102157491

IUPAC1,1,1,5,5,5-hexafluoro-4-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one
SMILESO=C(C/C(=N\CC/N=C(\CC(=O)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H8F12N2O2/c13-9(14,15)5(3-7(27)11(19,20)21)25-1-2-26-6(10(16,17)18)4-8(28)12(22,23)24/h1-4H2/b25-5+,26-6+
InChIKeyZQSQPAWMRDQANI-GQBJSJAWSA-N
MW440.18 g/mol
LogP4.04
Rot. Bonds7

About 1,1,1,5,5,5-hexafluoro-4-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one

1,1,1,5,5,5-hexafluoro-4-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one (PubChem CID 102157491) has the molecular formula C12H8F12N2O2 and a molecular weight of 440.18 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-4-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoro-4-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one
PubChem CID102157491
Molecular FormulaC12H8F12N2O2
Molecular Weight440.18 g/mol
Exact Mass440.04
IUPAC Name1,1,1,5,5,5-hexafluoro-4-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one
SMILESO=C(C/C(=N\CC/N=C(\CC(=O)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H8F12N2O2/c13-9(14,15)5(3-7(27)11(19,20)21)25-1-2-26-6(10(16,17)18)4-8(28)12(22,23)24/h1-4H2/b25-5+,26-6+
InChIKeyZQSQPAWMRDQANI-GQBJSJAWSA-N
XLogP4.04
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.18
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1,1,1,5,5,5-hexafluoro-4-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-Trifluoro-4-[2-[(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]propylimino]pentan-2-one
CID 227167
N,N'-Ethylenebis(trifluoroacetylacetoneimine)
CID 193293
N,N'-Butylenebis(5,5,5-trifluoro-4-oxopentan-2-imine)
CID 586813
N,N'-Ethylenebis(5,5,5-trifluoro-4-oxopentan-2-imine)
CID 597142
2-Pentanone, 1,1,1,5,5,5-hexafluoro-4-[(2,2,2-trifluoroethyl)imino]-
CID 15051445
1,1,1,2,2,6,6,6-Octafluoro-5-(2,2,2-trifluoroethylimino)hexan-3-one
CID 15051446
1,1,1,2,2,3,3,7,7,7-Decafluoro-6-(2,2,2-trifluoroethylimino)heptan-4-one
CID 15051447
1,1,1-Trifluoro-5-[2-[(5,5,5-trifluoro-3-oxopentylidene)amino]ethylimino]pentan-3-one
CID 18322621
1,1,1-Trifluoro-4-propyliminopentan-2-one
CID 118001960
1,1,5,5-Tetrafluoro-3-propan-2-yliminopentan-2-one
CID 125487257
Copper;1,1,1,5,5,5-hexafluoro-4-(2,2,2-trifluoroethylimino)pentan-2-one
CID 132054616
5,5,5-Trifluoro-4-propyliminopentan-2-one
CID 144821708

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoro-4-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one?
The IUPAC name of 1,1,1,5,5,5-hexafluoro-4-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one (CID 102157491) is 1,1,1,5,5,5-hexafluoro-4-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-4-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one?
The canonical SMILES for 1,1,1,5,5,5-hexafluoro-4-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one is O=C(C/C(=N\CC/N=C(\CC(=O)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoro-4-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one?
The InChIKey is ZQSQPAWMRDQANI-GQBJSJAWSA-N. The full InChI is InChI=1S/C12H8F12N2O2/c13-9(14,15)5(3-7(27)11(19,20)21)25-1-2-26-6(10(16,17)18)4-8(28)12(22,23)24/h1-4H2/b25-5+,26-6+.
What are the key properties of 1,1,1,5,5,5-hexafluoro-4-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one?
1,1,1,5,5,5-hexafluoro-4-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one has a molecular weight of 440.18 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoro-4-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one is sourced from PubChem (CID 102157491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).