1-fluoro-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone

C8H3FO6 — CID 91533794

IUPAC1-fluoro-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
SMILESO=C1OC(=O)C2C1C1C(=O)OC(=O)C21F
InChIInChI=1S/C8H3FO6/c9-8-2-1(4(10)14-5(2)11)3(8)6(12)15-7(8)13/h1-3H
InChIKeyUVTGBRAKLBNLPB-UHFFFAOYSA-N
MW214.10 g/mol
LogP-1.28
Rot. Bonds

About 1-fluoro-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone

1-fluoro-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone (PubChem CID 91533794) has the molecular formula C8H3FO6 and a molecular weight of 214.10 g/mol. Its IUPAC name is 1-fluoro-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone.

Molecular Properties

Compound Name1-fluoro-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
PubChem CID91533794
Molecular FormulaC8H3FO6
Molecular Weight214.10 g/mol
Exact Mass213.99
IUPAC Name1-fluoro-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
SMILESO=C1OC(=O)C2C1C1C(=O)OC(=O)C21F
InChIInChI=1S/C8H3FO6/c9-8-2-1(4(10)14-5(2)11)3(8)6(12)15-7(8)13/h1-3H
InChIKeyUVTGBRAKLBNLPB-UHFFFAOYSA-N
XLogP-1.28
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.10
LogP ≤ 5-1.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-fluoro-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?
The IUPAC name of 1-fluoro-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone (CID 91533794) is 1-fluoro-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone.
What is the SMILES notation for 1-fluoro-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?
The canonical SMILES for 1-fluoro-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone is O=C1OC(=O)C2C1C1C(=O)OC(=O)C21F.
What is the InChIKey of 1-fluoro-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?
The InChIKey is UVTGBRAKLBNLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3FO6/c9-8-2-1(4(10)14-5(2)11)3(8)6(12)15-7(8)13/h1-3H.
What are the key properties of 1-fluoro-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?
1-fluoro-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone has a molecular weight of 214.10 g/mol, XLogP of -1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone is sourced from PubChem (CID 91533794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).