2-(2,2-difluoropropoxy)-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one

C10H12F2O4 — CID 118150824

IUPAC2-(2,2-difluoropropoxy)-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one
SMILESCC(F)(F)COC1C2CC3C(=O)OC1C3O2
InChIInChI=1S/C10H12F2O4/c1-10(11,12)3-14-7-5-2-4-6(15-5)8(7)16-9(4)13/h4-8H,2-3H2,1H3
InChIKeyUEGZNAGBOVIYMP-UHFFFAOYSA-N
MW234.20 g/mol
LogP0.74
Rot. Bonds3

About 2-(2,2-difluoropropoxy)-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one

2-(2,2-difluoropropoxy)-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one (PubChem CID 118150824) has the molecular formula C10H12F2O4 and a molecular weight of 234.20 g/mol. Its IUPAC name is 2-(2,2-difluoropropoxy)-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one.

Molecular Properties

Compound Name2-(2,2-difluoropropoxy)-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one
PubChem CID118150824
Molecular FormulaC10H12F2O4
Molecular Weight234.20 g/mol
Exact Mass234.07
IUPAC Name2-(2,2-difluoropropoxy)-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one
SMILESCC(F)(F)COC1C2CC3C(=O)OC1C3O2
InChIInChI=1S/C10H12F2O4/c1-10(11,12)3-14-7-5-2-4-6(15-5)8(7)16-9(4)13/h4-8H,2-3H2,1H3
InChIKeyUEGZNAGBOVIYMP-UHFFFAOYSA-N
XLogP0.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropropoxy)-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one?
The IUPAC name of 2-(2,2-difluoropropoxy)-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one (CID 118150824) is 2-(2,2-difluoropropoxy)-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one.
What is the SMILES notation for 2-(2,2-difluoropropoxy)-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one?
The canonical SMILES for 2-(2,2-difluoropropoxy)-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one is CC(F)(F)COC1C2CC3C(=O)OC1C3O2.
What is the InChIKey of 2-(2,2-difluoropropoxy)-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one?
The InChIKey is UEGZNAGBOVIYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O4/c1-10(11,12)3-14-7-5-2-4-6(15-5)8(7)16-9(4)13/h4-8H,2-3H2,1H3.
What are the key properties of 2-(2,2-difluoropropoxy)-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one?
2-(2,2-difluoropropoxy)-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one has a molecular weight of 234.20 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropoxy)-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one is sourced from PubChem (CID 118150824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).