2,2-difluoro-1,3-dimorpholin-4-ylpropane-1,3-dione

C11H16F2N2O4 — CID 717946

IUPAC2,2-difluoro-1,3-dimorpholin-4-ylpropane-1,3-dione
SMILESO=C(N1CCOCC1)C(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C11H16F2N2O4/c12-11(13,9(16)14-1-5-18-6-2-14)10(17)15-3-7-19-8-4-15/h1-8H2
InChIKeyOUWDMQMZKLXMKQ-UHFFFAOYSA-N
MW278.25 g/mol
LogP-0.66
Rot. Bonds2

About 2,2-difluoro-1,3-dimorpholin-4-ylpropane-1,3-dione

2,2-difluoro-1,3-dimorpholin-4-ylpropane-1,3-dione (PubChem CID 717946) has the molecular formula C11H16F2N2O4 and a molecular weight of 278.25 g/mol. Its IUPAC name is 2,2-difluoro-1,3-dimorpholin-4-ylpropane-1,3-dione.

Molecular Properties

Compound Name2,2-difluoro-1,3-dimorpholin-4-ylpropane-1,3-dione
PubChem CID717946
Molecular FormulaC11H16F2N2O4
Molecular Weight278.25 g/mol
Exact Mass278.11
IUPAC Name2,2-difluoro-1,3-dimorpholin-4-ylpropane-1,3-dione
SMILESO=C(N1CCOCC1)C(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C11H16F2N2O4/c12-11(13,9(16)14-1-5-18-6-2-14)10(17)15-3-7-19-8-4-15/h1-8H2
InChIKeyOUWDMQMZKLXMKQ-UHFFFAOYSA-N
XLogP-0.66
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1,3-dimorpholin-4-ylpropane-1,3-dione?
The IUPAC name of 2,2-difluoro-1,3-dimorpholin-4-ylpropane-1,3-dione (CID 717946) is 2,2-difluoro-1,3-dimorpholin-4-ylpropane-1,3-dione.
What is the SMILES notation for 2,2-difluoro-1,3-dimorpholin-4-ylpropane-1,3-dione?
The canonical SMILES for 2,2-difluoro-1,3-dimorpholin-4-ylpropane-1,3-dione is O=C(N1CCOCC1)C(F)(F)C(=O)N1CCOCC1.
What is the InChIKey of 2,2-difluoro-1,3-dimorpholin-4-ylpropane-1,3-dione?
The InChIKey is OUWDMQMZKLXMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O4/c12-11(13,9(16)14-1-5-18-6-2-14)10(17)15-3-7-19-8-4-15/h1-8H2.
What are the key properties of 2,2-difluoro-1,3-dimorpholin-4-ylpropane-1,3-dione?
2,2-difluoro-1,3-dimorpholin-4-ylpropane-1,3-dione has a molecular weight of 278.25 g/mol, XLogP of -0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1,3-dimorpholin-4-ylpropane-1,3-dione is sourced from PubChem (CID 717946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).