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

C8H15FN2 — CID 105431025

IUPAC8-fluoro-6,8-dimethyl-3,6-diazabicyclo[3.2.1]octane
SMILESCN1CC2CNCC1C2(C)F
InChIInChI=1S/C8H15FN2/c1-8(9)6-3-10-4-7(8)11(2)5-6/h6-7,10H,3-5H2,1-2H3
InChIKeyRETSSCPWGUZQLC-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.25
Rot. Bonds

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

8-fluoro-6,8-dimethyl-3,6-diazabicyclo[3.2.1]octane (PubChem CID 105431025) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 8-fluoro-6,8-dimethyl-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-fluoro-6,8-dimethyl-3,6-diazabicyclo[3.2.1]octane
PubChem CID105431025
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name8-fluoro-6,8-dimethyl-3,6-diazabicyclo[3.2.1]octane
SMILESCN1CC2CNCC1C2(C)F
InChIInChI=1S/C8H15FN2/c1-8(9)6-3-10-4-7(8)11(2)5-6/h6-7,10H,3-5H2,1-2H3
InChIKeyRETSSCPWGUZQLC-UHFFFAOYSA-N
XLogP0.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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 8-fluoro-6,8-dimethyl-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-fluoro-6,8-dimethyl-3,6-diazabicyclo[3.2.1]octane (CID 105431025) is 8-fluoro-6,8-dimethyl-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-fluoro-6,8-dimethyl-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-fluoro-6,8-dimethyl-3,6-diazabicyclo[3.2.1]octane is CN1CC2CNCC1C2(C)F.
What is the InChIKey of 8-fluoro-6,8-dimethyl-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is RETSSCPWGUZQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c1-8(9)6-3-10-4-7(8)11(2)5-6/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 8-fluoro-6,8-dimethyl-3,6-diazabicyclo[3.2.1]octane?
8-fluoro-6,8-dimethyl-3,6-diazabicyclo[3.2.1]octane has a molecular weight of 158.22 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6,8-dimethyl-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 105431025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).