2-(1,1-difluoroethoxymethyl)oxolane

C7H12F2O2 — CID 58114944

IUPAC2-(1,1-difluoroethoxymethyl)oxolane
SMILESCC(F)(F)OCC1CCCO1
InChIInChI=1S/C7H12F2O2/c1-7(8,9)11-5-6-3-2-4-10-6/h6H,2-5H2,1H3
InChIKeyWKWDAAJEYYUVLH-UHFFFAOYSA-N
MW166.17 g/mol
LogP1.79
Rot. Bonds3

About 2-(1,1-difluoroethoxymethyl)oxolane

2-(1,1-difluoroethoxymethyl)oxolane (PubChem CID 58114944) has the molecular formula C7H12F2O2 and a molecular weight of 166.17 g/mol. Its IUPAC name is 2-(1,1-difluoroethoxymethyl)oxolane.

Molecular Properties

Compound Name2-(1,1-difluoroethoxymethyl)oxolane
PubChem CID58114944
Molecular FormulaC7H12F2O2
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name2-(1,1-difluoroethoxymethyl)oxolane
SMILESCC(F)(F)OCC1CCCO1
InChIInChI=1S/C7H12F2O2/c1-7(8,9)11-5-6-3-2-4-10-6/h6H,2-5H2,1H3
InChIKeyWKWDAAJEYYUVLH-UHFFFAOYSA-N
XLogP1.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethoxymethyl)oxolane?
The IUPAC name of 2-(1,1-difluoroethoxymethyl)oxolane (CID 58114944) is 2-(1,1-difluoroethoxymethyl)oxolane.
What is the SMILES notation for 2-(1,1-difluoroethoxymethyl)oxolane?
The canonical SMILES for 2-(1,1-difluoroethoxymethyl)oxolane is CC(F)(F)OCC1CCCO1.
What is the InChIKey of 2-(1,1-difluoroethoxymethyl)oxolane?
The InChIKey is WKWDAAJEYYUVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O2/c1-7(8,9)11-5-6-3-2-4-10-6/h6H,2-5H2,1H3.
What are the key properties of 2-(1,1-difluoroethoxymethyl)oxolane?
2-(1,1-difluoroethoxymethyl)oxolane has a molecular weight of 166.17 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethoxymethyl)oxolane is sourced from PubChem (CID 58114944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).