6-fluoro-4,11-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene

C9H9FN2 — CID 169176623

IUPAC6-fluoro-4,11-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESFc1cncc2c1C1CCC2N1
InChIInChI=1S/C9H9FN2/c10-6-4-11-3-5-7-1-2-8(12-7)9(5)6/h3-4,7-8,12H,1-2H2
InChIKeyCRCGIVNHSABDHD-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.70
Rot. Bonds

About 6-fluoro-4,11-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene

6-fluoro-4,11-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 169176623) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 6-fluoro-4,11-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name6-fluoro-4,11-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID169176623
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name6-fluoro-4,11-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESFc1cncc2c1C1CCC2N1
InChIInChI=1S/C9H9FN2/c10-6-4-11-3-5-7-1-2-8(12-7)9(5)6/h3-4,7-8,12H,1-2H2
InChIKeyCRCGIVNHSABDHD-UHFFFAOYSA-N
XLogP1.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-4,11-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene 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 6-fluoro-4,11-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of 6-fluoro-4,11-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 169176623) is 6-fluoro-4,11-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for 6-fluoro-4,11-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for 6-fluoro-4,11-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene is Fc1cncc2c1C1CCC2N1.
What is the InChIKey of 6-fluoro-4,11-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is CRCGIVNHSABDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c10-6-4-11-3-5-7-1-2-8(12-7)9(5)6/h3-4,7-8,12H,1-2H2.
What are the key properties of 6-fluoro-4,11-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
6-fluoro-4,11-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 164.18 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4,11-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 169176623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).