5,5-difluoro-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone

C8H6F2O8 — CID 58502708

IUPAC5,5-difluoro-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone
SMILESO=C1CC(=O)OCOC(=O)C(F)(F)C(=O)OCO1
InChIInChI=1S/C8H6F2O8/c9-8(10)6(13)17-2-15-4(11)1-5(12)16-3-18-7(8)14/h1-3H2
InChIKeyGIEKSYYBRIUWDM-UHFFFAOYSA-N
MW268.12 g/mol
LogP-0.89
Rot. Bonds

About 5,5-difluoro-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone

5,5-difluoro-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone (PubChem CID 58502708) has the molecular formula C8H6F2O8 and a molecular weight of 268.12 g/mol. Its IUPAC name is 5,5-difluoro-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone.

Molecular Properties

Compound Name5,5-difluoro-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone
PubChem CID58502708
Molecular FormulaC8H6F2O8
Molecular Weight268.12 g/mol
Exact Mass268.00
IUPAC Name5,5-difluoro-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone
SMILESO=C1CC(=O)OCOC(=O)C(F)(F)C(=O)OCO1
InChIInChI=1S/C8H6F2O8/c9-8(10)6(13)17-2-15-4(11)1-5(12)16-3-18-7(8)14/h1-3H2
InChIKeyGIEKSYYBRIUWDM-UHFFFAOYSA-N
XLogP-0.89
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 5,5-difluoro-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone?
The IUPAC name of 5,5-difluoro-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone (CID 58502708) is 5,5-difluoro-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone.
What is the SMILES notation for 5,5-difluoro-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone?
The canonical SMILES for 5,5-difluoro-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone is O=C1CC(=O)OCOC(=O)C(F)(F)C(=O)OCO1.
What is the InChIKey of 5,5-difluoro-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone?
The InChIKey is GIEKSYYBRIUWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O8/c9-8(10)6(13)17-2-15-4(11)1-5(12)16-3-18-7(8)14/h1-3H2.
What are the key properties of 5,5-difluoro-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone?
5,5-difluoro-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone has a molecular weight of 268.12 g/mol, XLogP of -0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone is sourced from PubChem (CID 58502708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).