4-[2-(dimethylamino)ethylimino]-1,1,1,5,5,5-hexafluoropentan-2-one

C9H12F6N2O — CID 12988238

IUPAC4-[2-(dimethylamino)ethylimino]-1,1,1,5,5,5-hexafluoropentan-2-one
SMILESCN(C)CC/N=C(\CC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6N2O/c1-17(2)4-3-16-6(8(10,11)12)5-7(18)9(13,14)15/h3-5H2,1-2H3/b16-6+
InChIKeyUWNHYTNBXUUZDG-OMCISZLKSA-N
MW278.20 g/mol
LogP2.07
Rot. Bonds5

About 4-[2-(dimethylamino)ethylimino]-1,1,1,5,5,5-hexafluoropentan-2-one

4-[2-(dimethylamino)ethylimino]-1,1,1,5,5,5-hexafluoropentan-2-one (PubChem CID 12988238) has the molecular formula C9H12F6N2O and a molecular weight of 278.20 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylimino]-1,1,1,5,5,5-hexafluoropentan-2-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylimino]-1,1,1,5,5,5-hexafluoropentan-2-one
PubChem CID12988238
Molecular FormulaC9H12F6N2O
Molecular Weight278.20 g/mol
Exact Mass278.09
IUPAC Name4-[2-(dimethylamino)ethylimino]-1,1,1,5,5,5-hexafluoropentan-2-one
SMILESCN(C)CC/N=C(\CC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6N2O/c1-17(2)4-3-16-6(8(10,11)12)5-7(18)9(13,14)15/h3-5H2,1-2H3/b16-6+
InChIKeyUWNHYTNBXUUZDG-OMCISZLKSA-N
XLogP2.07
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylimino]-1,1,1,5,5,5-hexafluoropentan-2-one?
The IUPAC name of 4-[2-(dimethylamino)ethylimino]-1,1,1,5,5,5-hexafluoropentan-2-one (CID 12988238) is 4-[2-(dimethylamino)ethylimino]-1,1,1,5,5,5-hexafluoropentan-2-one.
What is the SMILES notation for 4-[2-(dimethylamino)ethylimino]-1,1,1,5,5,5-hexafluoropentan-2-one?
The canonical SMILES for 4-[2-(dimethylamino)ethylimino]-1,1,1,5,5,5-hexafluoropentan-2-one is CN(C)CC/N=C(\CC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-[2-(dimethylamino)ethylimino]-1,1,1,5,5,5-hexafluoropentan-2-one?
The InChIKey is UWNHYTNBXUUZDG-OMCISZLKSA-N. The full InChI is InChI=1S/C9H12F6N2O/c1-17(2)4-3-16-6(8(10,11)12)5-7(18)9(13,14)15/h3-5H2,1-2H3/b16-6+.
What are the key properties of 4-[2-(dimethylamino)ethylimino]-1,1,1,5,5,5-hexafluoropentan-2-one?
4-[2-(dimethylamino)ethylimino]-1,1,1,5,5,5-hexafluoropentan-2-one has a molecular weight of 278.20 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethylimino]-1,1,1,5,5,5-hexafluoropentan-2-one is sourced from PubChem (CID 12988238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).