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

C14H13F12N3O2 — CID 102512841

IUPAC1,1,1,5,5,5-hexafluoro-4-[2-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylamino]ethylimino]pentan-2-one
SMILESO=C(C/C(=N\CCNCC/N=C(\CC(=O)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H13F12N3O2/c15-11(16,17)7(5-9(30)13(21,22)23)28-3-1-27-2-4-29-8(12(18,19)20)6-10(31)14(24,25)26/h27H,1-6H2/b28-7+,29-8+
InChIKeyLSYKJGGQQPCGCK-JQMCJCOYSA-N
MW483.25 g/mol
LogP3.63
Rot. Bonds10

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

1,1,1,5,5,5-hexafluoro-4-[2-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylamino]ethylimino]pentan-2-one (PubChem CID 102512841) has the molecular formula C14H13F12N3O2 and a molecular weight of 483.25 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-4-[2-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylamino]ethylimino]pentan-2-one.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoro-4-[2-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylamino]ethylimino]pentan-2-one
PubChem CID102512841
Molecular FormulaC14H13F12N3O2
Molecular Weight483.25 g/mol
Exact Mass483.08
IUPAC Name1,1,1,5,5,5-hexafluoro-4-[2-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylamino]ethylimino]pentan-2-one
SMILESO=C(C/C(=N\CCNCC/N=C(\CC(=O)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H13F12N3O2/c15-11(16,17)7(5-9(30)13(21,22)23)28-3-1-27-2-4-29-8(12(18,19)20)6-10(31)14(24,25)26/h27H,1-6H2/b28-7+,29-8+
InChIKeyLSYKJGGQQPCGCK-JQMCJCOYSA-N
XLogP3.63
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.25
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1,1,1-Trifluoro-4-[2-[2-[(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]ethylamino]ethylimino]pentan-2-one
CID 102512842
4-[2-[2-(4-Oxopentan-2-ylideneamino)ethylamino]ethylimino]pentan-2-one
CID 139771301

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoro-4-[2-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylamino]ethylimino]pentan-2-one?
The IUPAC name of 1,1,1,5,5,5-hexafluoro-4-[2-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylamino]ethylimino]pentan-2-one (CID 102512841) is 1,1,1,5,5,5-hexafluoro-4-[2-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylamino]ethylimino]pentan-2-one.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-4-[2-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylamino]ethylimino]pentan-2-one?
The canonical SMILES for 1,1,1,5,5,5-hexafluoro-4-[2-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylamino]ethylimino]pentan-2-one is O=C(C/C(=N\CCNCC/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-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylamino]ethylimino]pentan-2-one?
The InChIKey is LSYKJGGQQPCGCK-JQMCJCOYSA-N. The full InChI is InChI=1S/C14H13F12N3O2/c15-11(16,17)7(5-9(30)13(21,22)23)28-3-1-27-2-4-29-8(12(18,19)20)6-10(31)14(24,25)26/h27H,1-6H2/b28-7+,29-8+.
What are the key properties of 1,1,1,5,5,5-hexafluoro-4-[2-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylamino]ethylimino]pentan-2-one?
1,1,1,5,5,5-hexafluoro-4-[2-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylamino]ethylimino]pentan-2-one has a molecular weight of 483.25 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoro-4-[2-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylamino]ethylimino]pentan-2-one is sourced from PubChem (CID 102512841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).