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

C8H15FN2 — CID 105431024

IUPAC6-ethyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane
SMILESCCN1CC2CNCC1C2F
InChIInChI=1S/C8H15FN2/c1-2-11-5-6-3-10-4-7(11)8(6)9/h6-8,10H,2-5H2,1H3
InChIKeyAPNCNZXIASCUNH-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.25
Rot. Bonds1

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

6-ethyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane (PubChem CID 105431024) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 6-ethyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-ethyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane
PubChem CID105431024
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name6-ethyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane
SMILESCCN1CC2CNCC1C2F
InChIInChI=1S/C8H15FN2/c1-2-11-5-6-3-10-4-7(11)8(6)9/h6-8,10H,2-5H2,1H3
InChIKeyAPNCNZXIASCUNH-UHFFFAOYSA-N
XLogP0.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of 6-ethyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane (CID 105431024) is 6-ethyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 6-ethyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for 6-ethyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane is CCN1CC2CNCC1C2F.
What is the InChIKey of 6-ethyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is APNCNZXIASCUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c1-2-11-5-6-3-10-4-7(11)8(6)9/h6-8,10H,2-5H2,1H3.
What are the key properties of 6-ethyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane?
6-ethyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane has a molecular weight of 158.22 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 105431024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).