1,7-difluoro-2,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone

C10H6F2O6 — CID 90703261

IUPAC1,7-difluoro-2,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
SMILESCC12C(=O)OC(=O)C1(C)C1(F)C(=O)OC(=O)C21F
InChIInChI=1S/C10H6F2O6/c1-7-3(13)17-4(14)8(7,2)10(12)6(16)18-5(15)9(7,10)11/h1-2H3
InChIKeyVHWMVYBRRBGNBP-UHFFFAOYSA-N
MW260.15 g/mol
LogP-0.40
Rot. Bonds

About 1,7-difluoro-2,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone

1,7-difluoro-2,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone (PubChem CID 90703261) has the molecular formula C10H6F2O6 and a molecular weight of 260.15 g/mol. Its IUPAC name is 1,7-difluoro-2,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone.

Molecular Properties

Compound Name1,7-difluoro-2,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
PubChem CID90703261
Molecular FormulaC10H6F2O6
Molecular Weight260.15 g/mol
Exact Mass260.01
IUPAC Name1,7-difluoro-2,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
SMILESCC12C(=O)OC(=O)C1(C)C1(F)C(=O)OC(=O)C21F
InChIInChI=1S/C10H6F2O6/c1-7-3(13)17-4(14)8(7,2)10(12)6(16)18-5(15)9(7,10)11/h1-2H3
InChIKeyVHWMVYBRRBGNBP-UHFFFAOYSA-N
XLogP-0.40
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,7-difluoro-2,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,7-difluoro-2,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?
The IUPAC name of 1,7-difluoro-2,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone (CID 90703261) is 1,7-difluoro-2,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone.
What is the SMILES notation for 1,7-difluoro-2,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?
The canonical SMILES for 1,7-difluoro-2,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone is CC12C(=O)OC(=O)C1(C)C1(F)C(=O)OC(=O)C21F.
What is the InChIKey of 1,7-difluoro-2,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?
The InChIKey is VHWMVYBRRBGNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2O6/c1-7-3(13)17-4(14)8(7,2)10(12)6(16)18-5(15)9(7,10)11/h1-2H3.
What are the key properties of 1,7-difluoro-2,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?
1,7-difluoro-2,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone has a molecular weight of 260.15 g/mol, XLogP of -0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-difluoro-2,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone is sourced from PubChem (CID 90703261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).