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

C6H11FN2 — CID 170102060

IUPAC1-fluoro-3,6-diazabicyclo[3.2.1]octane
SMILESFC12CNCC(C1)NC2
InChIInChI=1S/C6H11FN2/c7-6-1-5(9-4-6)2-8-3-6/h5,8-9H,1-4H2
InChIKeyPVBLKAKSGKDTTO-UHFFFAOYSA-N
MW130.17 g/mol
LogP-0.34
Rot. Bonds

About 1-fluoro-3,6-diazabicyclo[3.2.1]octane

1-fluoro-3,6-diazabicyclo[3.2.1]octane (PubChem CID 170102060) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is 1-fluoro-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-fluoro-3,6-diazabicyclo[3.2.1]octane
PubChem CID170102060
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name1-fluoro-3,6-diazabicyclo[3.2.1]octane
SMILESFC12CNCC(C1)NC2
InChIInChI=1S/C6H11FN2/c7-6-1-5(9-4-6)2-8-3-6/h5,8-9H,1-4H2
InChIKeyPVBLKAKSGKDTTO-UHFFFAOYSA-N
XLogP-0.34
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 ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-fluoro-3,6-diazabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of 1-fluoro-3,6-diazabicyclo[3.2.1]octane (CID 170102060) is 1-fluoro-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 1-fluoro-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for 1-fluoro-3,6-diazabicyclo[3.2.1]octane is FC12CNCC(C1)NC2.
What is the InChIKey of 1-fluoro-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is PVBLKAKSGKDTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2/c7-6-1-5(9-4-6)2-8-3-6/h5,8-9H,1-4H2.
What are the key properties of 1-fluoro-3,6-diazabicyclo[3.2.1]octane?
1-fluoro-3,6-diazabicyclo[3.2.1]octane has a molecular weight of 130.17 g/mol, XLogP of -0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 170102060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).