3-(2,2-difluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane

C8H13F2NO — CID 130674347

IUPAC3-(2,2-difluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESFC(F)CN1CC2CCC(C1)O2
InChIInChI=1S/C8H13F2NO/c9-8(10)5-11-3-6-1-2-7(4-11)12-6/h6-8H,1-5H2
InChIKeyZXRLBBOHEIAMRY-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.11
Rot. Bonds2

About 3-(2,2-difluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane

3-(2,2-difluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 130674347) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID130674347
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name3-(2,2-difluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESFC(F)CN1CC2CCC(C1)O2
InChIInChI=1S/C8H13F2NO/c9-8(10)5-11-3-6-1-2-7(4-11)12-6/h6-8H,1-5H2
InChIKeyZXRLBBOHEIAMRY-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2,2-difluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane (CID 130674347) is 3-(2,2-difluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2,2-difluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2,2-difluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane is FC(F)CN1CC2CCC(C1)O2.
What is the InChIKey of 3-(2,2-difluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is ZXRLBBOHEIAMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-8(10)5-11-3-6-1-2-7(4-11)12-6/h6-8H,1-5H2.
What are the key properties of 3-(2,2-difluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
3-(2,2-difluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 177.19 g/mol, XLogP of 1.11, 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)-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 130674347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).