(1S,5S)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane

C7H11F2NO — CID 124660379

IUPAC(1S,5S)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane
SMILESFC1(F)[C@H]2CNC[C@H]1COC2
InChIInChI=1S/C7H11F2NO/c8-7(9)5-1-10-2-6(7)4-11-3-5/h5-6,10H,1-4H2/t5-,6-/m0/s1
InChIKeyZGGHCXRVEDILOZ-WDSKDSINSA-N
MW163.17 g/mol
LogP0.49
Rot. Bonds

About (1S,5S)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane

(1S,5S)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane (PubChem CID 124660379) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is (1S,5S)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1S,5S)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane
PubChem CID124660379
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name(1S,5S)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane
SMILESFC1(F)[C@H]2CNC[C@H]1COC2
InChIInChI=1S/C7H11F2NO/c8-7(9)5-1-10-2-6(7)4-11-3-5/h5-6,10H,1-4H2/t5-,6-/m0/s1
InChIKeyZGGHCXRVEDILOZ-WDSKDSINSA-N
XLogP0.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane?
The IUPAC name of (1S,5S)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane (CID 124660379) is (1S,5S)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane.
What is the SMILES notation for (1S,5S)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane?
The canonical SMILES for (1S,5S)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane is FC1(F)[C@H]2CNC[C@H]1COC2.
What is the InChIKey of (1S,5S)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane?
The InChIKey is ZGGHCXRVEDILOZ-WDSKDSINSA-N. The full InChI is InChI=1S/C7H11F2NO/c8-7(9)5-1-10-2-6(7)4-11-3-5/h5-6,10H,1-4H2/t5-,6-/m0/s1.
What are the key properties of (1S,5S)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane?
(1S,5S)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane has a molecular weight of 163.17 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 124660379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).