3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane

C7H11F2NO — CID 169176725

IUPAC3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane
SMILESFC(F)OC1CC2CC(C1)N2
InChIInChI=1S/C7H11F2NO/c8-7(9)11-6-2-4-1-5(3-6)10-4/h4-7,10H,1-3H2
InChIKeyWZUINKMSGHRCRG-UHFFFAOYSA-N
MW163.17 g/mol
LogP1.12
Rot. Bonds2

About 3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane

3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane (PubChem CID 169176725) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane
PubChem CID169176725
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane
SMILESFC(F)OC1CC2CC(C1)N2
InChIInChI=1S/C7H11F2NO/c8-7(9)11-6-2-4-1-5(3-6)10-4/h4-7,10H,1-3H2
InChIKeyWZUINKMSGHRCRG-UHFFFAOYSA-N
XLogP1.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane?
The IUPAC name of 3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane (CID 169176725) is 3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for 3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane is FC(F)OC1CC2CC(C1)N2.
What is the InChIKey of 3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane?
The InChIKey is WZUINKMSGHRCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c8-7(9)11-6-2-4-1-5(3-6)10-4/h4-7,10H,1-3H2.
What are the key properties of 3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane?
3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane has a molecular weight of 163.17 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 169176725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).