(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-difluoropropanoate

C11H12F2O5 — CID 67694585

IUPAC(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1CC2OC1C1C(=O)OCC21
InChIInChI=1S/C11H12F2O5/c1-11(12,13)10(15)18-6-2-5-4-3-16-9(14)7(4)8(6)17-5/h4-8H,2-3H2,1H3
InChIKeyHDWHIRUVNIZZOV-UHFFFAOYSA-N
MW262.21 g/mol
LogP0.51
Rot. Bonds2

About (5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-difluoropropanoate

(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-difluoropropanoate (PubChem CID 67694585) has the molecular formula C11H12F2O5 and a molecular weight of 262.21 g/mol. Its IUPAC name is (5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-difluoropropanoate.

Molecular Properties

Compound Name(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-difluoropropanoate
PubChem CID67694585
Molecular FormulaC11H12F2O5
Molecular Weight262.21 g/mol
Exact Mass262.07
IUPAC Name(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1CC2OC1C1C(=O)OCC21
InChIInChI=1S/C11H12F2O5/c1-11(12,13)10(15)18-6-2-5-4-3-16-9(14)7(4)8(6)17-5/h4-8H,2-3H2,1H3
InChIKeyHDWHIRUVNIZZOV-UHFFFAOYSA-N
XLogP0.51
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-difluoropropanoate?
The IUPAC name of (5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-difluoropropanoate (CID 67694585) is (5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-difluoropropanoate.
What is the SMILES notation for (5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-difluoropropanoate?
The canonical SMILES for (5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-difluoropropanoate is CC(F)(F)C(=O)OC1CC2OC1C1C(=O)OCC21.
What is the InChIKey of (5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-difluoropropanoate?
The InChIKey is HDWHIRUVNIZZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O5/c1-11(12,13)10(15)18-6-2-5-4-3-16-9(14)7(4)8(6)17-5/h4-8H,2-3H2,1H3.
What are the key properties of (5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-difluoropropanoate?
(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-difluoropropanoate has a molecular weight of 262.21 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-difluoropropanoate is sourced from PubChem (CID 67694585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).