3-(2,2-difluoroethyl)-6-oxa-3-azabicyclo[3.2.1]octane

C8H13F2NO — CID 130649689

IUPAC3-(2,2-difluoroethyl)-6-oxa-3-azabicyclo[3.2.1]octane
SMILESFC(F)CN1CC2COC(C2)C1
InChIInChI=1S/C8H13F2NO/c9-8(10)4-11-2-6-1-7(3-11)12-5-6/h6-8H,1-5H2
InChIKeyOHEJYLDMRHMUEH-UHFFFAOYSA-N
MW177.19 g/mol
LogP0.97
Rot. Bonds2

About 3-(2,2-difluoroethyl)-6-oxa-3-azabicyclo[3.2.1]octane

3-(2,2-difluoroethyl)-6-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 130649689) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-6-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-6-oxa-3-azabicyclo[3.2.1]octane
PubChem CID130649689
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name3-(2,2-difluoroethyl)-6-oxa-3-azabicyclo[3.2.1]octane
SMILESFC(F)CN1CC2COC(C2)C1
InChIInChI=1S/C8H13F2NO/c9-8(10)4-11-2-6-1-7(3-11)12-5-6/h6-8H,1-5H2
InChIKeyOHEJYLDMRHMUEH-UHFFFAOYSA-N
XLogP0.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2,2-difluoroethyl)-6-oxa-3-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-6-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2,2-difluoroethyl)-6-oxa-3-azabicyclo[3.2.1]octane (CID 130649689) is 3-(2,2-difluoroethyl)-6-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2,2-difluoroethyl)-6-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2,2-difluoroethyl)-6-oxa-3-azabicyclo[3.2.1]octane is FC(F)CN1CC2COC(C2)C1.
What is the InChIKey of 3-(2,2-difluoroethyl)-6-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is OHEJYLDMRHMUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-8(10)4-11-2-6-1-7(3-11)12-5-6/h6-8H,1-5H2.
What are the key properties of 3-(2,2-difluoroethyl)-6-oxa-3-azabicyclo[3.2.1]octane?
3-(2,2-difluoroethyl)-6-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 177.19 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-6-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 130649689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).