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

C7H13FN2 — CID 105428655

IUPAC8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane
SMILESCC1(F)C2CNCC1NC2
InChIInChI=1S/C7H13FN2/c1-7(8)5-2-9-4-6(7)10-3-5/h5-6,9-10H,2-4H2,1H3
InChIKeyKPSZTIMMFLHJGJ-UHFFFAOYSA-N
MW144.19 g/mol
LogP-0.09
Rot. Bonds

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

8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane (PubChem CID 105428655) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane
PubChem CID105428655
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane
SMILESCC1(F)C2CNCC1NC2
InChIInChI=1S/C7H13FN2/c1-7(8)5-2-9-4-6(7)10-3-5/h5-6,9-10H,2-4H2,1H3
InChIKeyKPSZTIMMFLHJGJ-UHFFFAOYSA-N
XLogP-0.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane (CID 105428655) is 8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane is CC1(F)C2CNCC1NC2.
What is the InChIKey of 8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is KPSZTIMMFLHJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2/c1-7(8)5-2-9-4-6(7)10-3-5/h5-6,9-10H,2-4H2,1H3.
What are the key properties of 8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane?
8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane has a molecular weight of 144.19 g/mol, XLogP of -0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 105428655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).