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

C9H15F2NO — CID 130481082

IUPAC3-(2,2-difluoroethoxy)-8-azabicyclo[3.2.1]octane
SMILESFC(F)COC1CC2CCC(C1)N2
InChIInChI=1S/C9H15F2NO/c10-9(11)5-13-8-3-6-1-2-7(4-8)12-6/h6-9,12H,1-5H2
InChIKeyZBKDNCJIYSWJSA-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.55
Rot. Bonds3

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

3-(2,2-difluoroethoxy)-8-azabicyclo[3.2.1]octane (PubChem CID 130481082) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-8-azabicyclo[3.2.1]octane
PubChem CID130481082
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name3-(2,2-difluoroethoxy)-8-azabicyclo[3.2.1]octane
SMILESFC(F)COC1CC2CCC(C1)N2
InChIInChI=1S/C9H15F2NO/c10-9(11)5-13-8-3-6-1-2-7(4-8)12-6/h6-9,12H,1-5H2
InChIKeyZBKDNCJIYSWJSA-UHFFFAOYSA-N
XLogP1.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane
CID 122242169
3-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octane
CID 130481076
3-hydroperoxy-8-azabicyclo[3.2.1]octane
CID 88926780
3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane
CID 91623920
3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane;hydrochloride
CID 91623919
(1R,5S)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane
CID 68675499
(1S,5R)-3-[[2-(difluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68676268
(1S,5R)-3-[[4-(fluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68674572
31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane
CID 90736283
3-ethoxy-6-azabicyclo[3.1.1]heptane
CID 169176949
(1R,5S)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane
CID 68673997
3-[(3,5-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane
CID 114199669

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2,2-difluoroethoxy)-8-azabicyclo[3.2.1]octane (CID 130481082) is 3-(2,2-difluoroethoxy)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2,2-difluoroethoxy)-8-azabicyclo[3.2.1]octane is FC(F)COC1CC2CCC(C1)N2.
What is the InChIKey of 3-(2,2-difluoroethoxy)-8-azabicyclo[3.2.1]octane?
The InChIKey is ZBKDNCJIYSWJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c10-9(11)5-13-8-3-6-1-2-7(4-8)12-6/h6-9,12H,1-5H2.
What are the key properties of 3-(2,2-difluoroethoxy)-8-azabicyclo[3.2.1]octane?
3-(2,2-difluoroethoxy)-8-azabicyclo[3.2.1]octane has a molecular weight of 191.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 130481082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).