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

C7H11F2NO — CID 55279054

IUPAC(1S,5R)-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+
InChIKeyZGGHCXRVEDILOZ-OLQVQODUSA-N
MW163.17 g/mol
LogP0.49
Rot. Bonds

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

(1S,5R)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane (PubChem CID 55279054) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is (1S,5R)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1S,5R)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane
PubChem CID55279054
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name(1S,5R)-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+
InChIKeyZGGHCXRVEDILOZ-OLQVQODUSA-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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Related Compounds

(1S,5S)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane
CID 124660379
(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;ethane
CID 163257227
(1R,5S)-6,6-difluoro-3-azabicyclo[3.1.0]hexane
CID 51900833
9,9-difluoro-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid
CID 137480427
3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride
CID 177136763
(4aS,8aS)-1,3,4,5,6,7,8,8a-octahydropyrano[3,4-c]pyridin-4a-ol
CID 146049944
(1S,5S)-3-benzyl-9,9-difluoro-3,7-diazabicyclo[3.3.1]nonane
CID 98781096
9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 67212442
1-(oxetan-3-yl)cyclopropan-1-ol
CID 84647707
6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane
CID 130919289
3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 138719512
oxalic acid;bis(3-(oxetan-3-yl)azetidine)
CID 84819356

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane?
The IUPAC name of (1S,5R)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane (CID 55279054) is (1S,5R)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane.
What is the SMILES notation for (1S,5R)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane?
The canonical SMILES for (1S,5R)-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,5R)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane?
The InChIKey is ZGGHCXRVEDILOZ-OLQVQODUSA-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+.
What are the key properties of (1S,5R)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane?
(1S,5R)-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,5R)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 55279054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).