2,2,3,3,4,4-hexafluoro-1,5-dimorpholin-4-ylpentane-1,5-dione

C13H16F6N2O4 — CID 3427933

IUPAC2,2,3,3,4,4-hexafluoro-1,5-dimorpholin-4-ylpentane-1,5-dione
SMILESO=C(N1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C13H16F6N2O4/c14-11(15,9(22)20-1-5-24-6-2-20)13(18,19)12(16,17)10(23)21-3-7-25-8-4-21/h1-8H2
InChIKeyICEOWLBUHPTLMA-UHFFFAOYSA-N
MW378.27 g/mol
LogP0.61
Rot. Bonds4

About 2,2,3,3,4,4-hexafluoro-1,5-dimorpholin-4-ylpentane-1,5-dione

2,2,3,3,4,4-hexafluoro-1,5-dimorpholin-4-ylpentane-1,5-dione (PubChem CID 3427933) has the molecular formula C13H16F6N2O4 and a molecular weight of 378.27 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluoro-1,5-dimorpholin-4-ylpentane-1,5-dione.

Molecular Properties

Compound Name2,2,3,3,4,4-hexafluoro-1,5-dimorpholin-4-ylpentane-1,5-dione
PubChem CID3427933
Molecular FormulaC13H16F6N2O4
Molecular Weight378.27 g/mol
Exact Mass378.10
IUPAC Name2,2,3,3,4,4-hexafluoro-1,5-dimorpholin-4-ylpentane-1,5-dione
SMILESO=C(N1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C13H16F6N2O4/c14-11(15,9(22)20-1-5-24-6-2-20)13(18,19)12(16,17)10(23)21-3-7-25-8-4-21/h1-8H2
InChIKeyICEOWLBUHPTLMA-UHFFFAOYSA-N
XLogP0.61
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexafluoro-1,5-dimorpholin-4-ylpentane-1,5-dione?
The IUPAC name of 2,2,3,3,4,4-hexafluoro-1,5-dimorpholin-4-ylpentane-1,5-dione (CID 3427933) is 2,2,3,3,4,4-hexafluoro-1,5-dimorpholin-4-ylpentane-1,5-dione.
What is the SMILES notation for 2,2,3,3,4,4-hexafluoro-1,5-dimorpholin-4-ylpentane-1,5-dione?
The canonical SMILES for 2,2,3,3,4,4-hexafluoro-1,5-dimorpholin-4-ylpentane-1,5-dione is O=C(N1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(=O)N1CCOCC1.
What is the InChIKey of 2,2,3,3,4,4-hexafluoro-1,5-dimorpholin-4-ylpentane-1,5-dione?
The InChIKey is ICEOWLBUHPTLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F6N2O4/c14-11(15,9(22)20-1-5-24-6-2-20)13(18,19)12(16,17)10(23)21-3-7-25-8-4-21/h1-8H2.
What are the key properties of 2,2,3,3,4,4-hexafluoro-1,5-dimorpholin-4-ylpentane-1,5-dione?
2,2,3,3,4,4-hexafluoro-1,5-dimorpholin-4-ylpentane-1,5-dione has a molecular weight of 378.27 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexafluoro-1,5-dimorpholin-4-ylpentane-1,5-dione is sourced from PubChem (CID 3427933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).