(1R,5S)-3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane

C8H13F2NO — CID 129320555

IUPAC(1R,5S)-3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane
SMILESFC(F)OC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C8H13F2NO/c9-8(10)12-7-3-5-1-2-6(4-7)11-5/h5-8,11H,1-4H2/t5-,6+,7?
InChIKeyDDUUZGMDYMAWRO-MEKDEQNOSA-N
MW177.19 g/mol
LogP1.51
Rot. Bonds2

About (1R,5S)-3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane

(1R,5S)-3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane (PubChem CID 129320555) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is (1R,5S)-3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane
PubChem CID129320555
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name(1R,5S)-3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane
SMILESFC(F)OC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C8H13F2NO/c9-8(10)12-7-3-5-1-2-6(4-7)11-5/h5-8,11H,1-4H2/t5-,6+,7?
InChIKeyDDUUZGMDYMAWRO-MEKDEQNOSA-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 (1R,5S)-3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane (CID 129320555) is (1R,5S)-3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane is FC(F)OC1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of (1R,5S)-3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane?
The InChIKey is DDUUZGMDYMAWRO-MEKDEQNOSA-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/t5-,6+,7?.
What are the key properties of (1R,5S)-3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane?
(1R,5S)-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 (1R,5S)-3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 129320555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).