3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane

C8H13F2NO — CID 122242169

IUPAC3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane
SMILESFC(F)OC1CC2CCC(C1)N2
InChIInChI=1S/C8H13F2NO/c9-8(10)12-7-3-5-1-2-6(4-7)11-5/h5-8,11H,1-4H2
InChIKeyDDUUZGMDYMAWRO-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.51
Rot. Bonds2

About 3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane

3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane (PubChem CID 122242169) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane
PubChem CID122242169
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane
SMILESFC(F)OC1CC2CCC(C1)N2
InChIInChI=1S/C8H13F2NO/c9-8(10)12-7-3-5-1-2-6(4-7)11-5/h5-8,11H,1-4H2
InChIKeyDDUUZGMDYMAWRO-UHFFFAOYSA-N
XLogP1.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane (CID 122242169) is 3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane is FC(F)OC1CC2CCC(C1)N2.
What is the InChIKey of 3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane?
The InChIKey is DDUUZGMDYMAWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-8(10)12-7-3-5-1-2-6(4-7)11-5/h5-8,11H,1-4H2.
What are the key properties of 3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane?
3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane has a molecular weight of 177.19 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 122242169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).