6-fluoro-5-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5,10-tetraene

C11H10FN — CID 130067326

IUPAC6-fluoro-5-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5,10-tetraene
SMILESFc1nccc2c1CC1C=CC2C1
InChIInChI=1S/C11H10FN/c12-11-10-6-7-1-2-8(5-7)9(10)3-4-13-11/h1-4,7-8H,5-6H2
InChIKeyVZLJZFAIDNJLMV-UHFFFAOYSA-N
MW175.21 g/mol
LogP2.44
Rot. Bonds

About 6-fluoro-5-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5,10-tetraene

6-fluoro-5-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5,10-tetraene (PubChem CID 130067326) has the molecular formula C11H10FN and a molecular weight of 175.21 g/mol. Its IUPAC name is 6-fluoro-5-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5,10-tetraene.

Molecular Properties

Compound Name6-fluoro-5-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5,10-tetraene
PubChem CID130067326
Molecular FormulaC11H10FN
Molecular Weight175.21 g/mol
Exact Mass175.08
IUPAC Name6-fluoro-5-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5,10-tetraene
SMILESFc1nccc2c1CC1C=CC2C1
InChIInChI=1S/C11H10FN/c12-11-10-6-7-1-2-8(5-7)9(10)3-4-13-11/h1-4,7-8H,5-6H2
InChIKeyVZLJZFAIDNJLMV-UHFFFAOYSA-N
XLogP2.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-fluoro-5-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5,10-tetraene 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-5-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5,10-tetraene?
The IUPAC name of 6-fluoro-5-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5,10-tetraene (CID 130067326) is 6-fluoro-5-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5,10-tetraene.
What is the SMILES notation for 6-fluoro-5-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5,10-tetraene?
The canonical SMILES for 6-fluoro-5-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5,10-tetraene is Fc1nccc2c1CC1C=CC2C1.
What is the InChIKey of 6-fluoro-5-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5,10-tetraene?
The InChIKey is VZLJZFAIDNJLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN/c12-11-10-6-7-1-2-8(5-7)9(10)3-4-13-11/h1-4,7-8H,5-6H2.
What are the key properties of 6-fluoro-5-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5,10-tetraene?
6-fluoro-5-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5,10-tetraene has a molecular weight of 175.21 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5,10-tetraene is sourced from PubChem (CID 130067326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).