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

C7H13FN2 — CID 105428656

IUPAC8-fluoro-6-methyl-3,6-diazabicyclo[3.2.1]octane
SMILESCN1CC2CNCC1C2F
InChIInChI=1S/C7H13FN2/c1-10-4-5-2-9-3-6(10)7(5)8/h5-7,9H,2-4H2,1H3
InChIKeyDIBXCLDBNSEFHI-UHFFFAOYSA-N
MW144.19 g/mol
LogP-0.14
Rot. Bonds

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

8-fluoro-6-methyl-3,6-diazabicyclo[3.2.1]octane (PubChem CID 105428656) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 8-fluoro-6-methyl-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-fluoro-6-methyl-3,6-diazabicyclo[3.2.1]octane
PubChem CID105428656
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name8-fluoro-6-methyl-3,6-diazabicyclo[3.2.1]octane
SMILESCN1CC2CNCC1C2F
InChIInChI=1S/C7H13FN2/c1-10-4-5-2-9-3-6(10)7(5)8/h5-7,9H,2-4H2,1H3
InChIKeyDIBXCLDBNSEFHI-UHFFFAOYSA-N
XLogP-0.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-methyl-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-fluoro-6-methyl-3,6-diazabicyclo[3.2.1]octane (CID 105428656) is 8-fluoro-6-methyl-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-fluoro-6-methyl-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-fluoro-6-methyl-3,6-diazabicyclo[3.2.1]octane is CN1CC2CNCC1C2F.
What is the InChIKey of 8-fluoro-6-methyl-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is DIBXCLDBNSEFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2/c1-10-4-5-2-9-3-6(10)7(5)8/h5-7,9H,2-4H2,1H3.
What are the key properties of 8-fluoro-6-methyl-3,6-diazabicyclo[3.2.1]octane?
8-fluoro-6-methyl-3,6-diazabicyclo[3.2.1]octane has a molecular weight of 144.19 g/mol, XLogP of -0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-methyl-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 105428656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).