8-fluoro-3,6-diazabicyclo[3.2.1]octane

C6H11FN2 — CID 105427520

IUPAC8-fluoro-3,6-diazabicyclo[3.2.1]octane
SMILESFC1C2CNCC1NC2
InChIInChI=1S/C6H11FN2/c7-6-4-1-8-3-5(6)9-2-4/h4-6,8-9H,1-3H2
InChIKeyWZRIZCLXOLZBEV-UHFFFAOYSA-N
MW130.17 g/mol
LogP-0.48
Rot. Bonds

About 8-fluoro-3,6-diazabicyclo[3.2.1]octane

8-fluoro-3,6-diazabicyclo[3.2.1]octane (PubChem CID 105427520) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is 8-fluoro-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-fluoro-3,6-diazabicyclo[3.2.1]octane
PubChem CID105427520
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name8-fluoro-3,6-diazabicyclo[3.2.1]octane
SMILESFC1C2CNCC1NC2
InChIInChI=1S/C6H11FN2/c7-6-4-1-8-3-5(6)9-2-4/h4-6,8-9H,1-3H2
InChIKeyWZRIZCLXOLZBEV-UHFFFAOYSA-N
XLogP-0.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,4R,5S)-5-fluoro-2-azabicyclo[2.1.1]hexane
CID 55280748
(1S,4S)-2-azabicyclo[2.1.0]pentane
CID 29082085
(1R,4R)-2-azabicyclo[2.1.0]pentane
CID 29082087
3,7-diazabicyclo[4.2.0]octane
CID 23282823
2-azabicyclo[2.1.0]pentane;hydrochloride
CID 67309553
2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine
CID 154791283
2-azabicyclo[2.1.1]hexane-5-thiol
CID 123927307
3-(3-fluorocyclobutyl)azetidine;hydrochloride
CID 155893833
(1S,5S)-3-azabicyclo[3.2.0]heptane
CID 86330104
2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylic acid
CID 83816195
4,8-diazabicyclo[5.2.0]nonane
CID 122671923
(1R,5R,6S)-5-fluoro-3-azabicyclo[4.1.0]heptane
CID 130682149

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-fluoro-3,6-diazabicyclo[3.2.1]octane (CID 105427520) is 8-fluoro-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-fluoro-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-fluoro-3,6-diazabicyclo[3.2.1]octane is FC1C2CNCC1NC2.
What is the InChIKey of 8-fluoro-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is WZRIZCLXOLZBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2/c7-6-4-1-8-3-5(6)9-2-4/h4-6,8-9H,1-3H2.
What are the key properties of 8-fluoro-3,6-diazabicyclo[3.2.1]octane?
8-fluoro-3,6-diazabicyclo[3.2.1]octane has a molecular weight of 130.17 g/mol, XLogP of -0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 105427520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).