(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) carbonofluoridate

C8H7FO5 — CID 90145798

IUPAC(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) carbonofluoridate
SMILESO=C(F)OC1C2CC3C(=O)OC1C3O2
InChIInChI=1S/C8H7FO5/c9-8(11)14-5-3-1-2-4(12-3)6(5)13-7(2)10/h2-6H,1H2
InChIKeyLYGZDBDTMYPIOP-UHFFFAOYSA-N
MW202.14 g/mol
LogP0.17
Rot. Bonds1

About (5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) carbonofluoridate

(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) carbonofluoridate (PubChem CID 90145798) has the molecular formula C8H7FO5 and a molecular weight of 202.14 g/mol. Its IUPAC name is (5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) carbonofluoridate.

Molecular Properties

Compound Name(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) carbonofluoridate
PubChem CID90145798
Molecular FormulaC8H7FO5
Molecular Weight202.14 g/mol
Exact Mass202.03
IUPAC Name(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) carbonofluoridate
SMILESO=C(F)OC1C2CC3C(=O)OC1C3O2
InChIInChI=1S/C8H7FO5/c9-8(11)14-5-3-1-2-4(12-3)6(5)13-7(2)10/h2-6H,1H2
InChIKeyLYGZDBDTMYPIOP-UHFFFAOYSA-N
XLogP0.17
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) carbonofluoridate?
The IUPAC name of (5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) carbonofluoridate (CID 90145798) is (5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) carbonofluoridate.
What is the SMILES notation for (5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) carbonofluoridate?
The canonical SMILES for (5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) carbonofluoridate is O=C(F)OC1C2CC3C(=O)OC1C3O2.
What is the InChIKey of (5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) carbonofluoridate?
The InChIKey is LYGZDBDTMYPIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO5/c9-8(11)14-5-3-1-2-4(12-3)6(5)13-7(2)10/h2-6H,1H2.
What are the key properties of (5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) carbonofluoridate?
(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) carbonofluoridate has a molecular weight of 202.14 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) carbonofluoridate is sourced from PubChem (CID 90145798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).