8-fluoro-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene

C7H4FN — CID 11658290

IUPAC8-fluoro-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
SMILESFC1=c2ccccc2=N1
InChIInChI=1S/C7H4FN/c8-7-5-3-1-2-4-6(5)9-7/h1-4H
InChIKeyKCRUDWISPOVWRK-UHFFFAOYSA-N
MW121.11 g/mol
LogP0.35
Rot. Bonds

About 8-fluoro-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene

8-fluoro-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene (PubChem CID 11658290) has the molecular formula C7H4FN and a molecular weight of 121.11 g/mol. Its IUPAC name is 8-fluoro-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene.

Molecular Properties

Compound Name8-fluoro-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
PubChem CID11658290
Molecular FormulaC7H4FN
Molecular Weight121.11 g/mol
Exact Mass121.03
IUPAC Name8-fluoro-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
SMILESFC1=c2ccccc2=N1
InChIInChI=1S/C7H4FN/c8-7-5-3-1-2-4-6(5)9-7/h1-4H
InChIKeyKCRUDWISPOVWRK-UHFFFAOYSA-N
XLogP0.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.11
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-Methylbenzazete
CID 123769494
3,5-Difluoro-8-methyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
CID 153115861
2-Fluoro-1-benzazocine
CID 175116888
4-Fluoro-10-azatricyclo[4.4.0.02,9]deca-1(10),2(9),3,5,7-pentaene
CID 174793661
4,8-Dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
CID 123206901
8-Chloro-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
CID 11679827
8-Bromo-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
CID 11715290

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene?
The IUPAC name of 8-fluoro-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene (CID 11658290) is 8-fluoro-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene.
What is the SMILES notation for 8-fluoro-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene?
The canonical SMILES for 8-fluoro-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene is FC1=c2ccccc2=N1.
What is the InChIKey of 8-fluoro-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene?
The InChIKey is KCRUDWISPOVWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN/c8-7-5-3-1-2-4-6(5)9-7/h1-4H.
What are the key properties of 8-fluoro-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene?
8-fluoro-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene has a molecular weight of 121.11 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene is sourced from PubChem (CID 11658290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).