2-fluoro-1-azacyclohepta-1,3,5,6-tetraene

C6H4FN — CID 123793081

IUPAC2-fluoro-1-azacyclohepta-1,3,5,6-tetraene
SMILESFC1=NC=C=CC=C1
InChIInChI=1S/C6H4FN/c7-6-4-2-1-3-5-8-6/h1-2,4-5H
InChIKeyZBRUOBMYFZMVHY-UHFFFAOYSA-N
MW109.10 g/mol
LogP1.59
Rot. Bonds

About 2-fluoro-1-azacyclohepta-1,3,5,6-tetraene

2-fluoro-1-azacyclohepta-1,3,5,6-tetraene (PubChem CID 123793081) has the molecular formula C6H4FN and a molecular weight of 109.10 g/mol. Its IUPAC name is 2-fluoro-1-azacyclohepta-1,3,5,6-tetraene.

Molecular Properties

Compound Name2-fluoro-1-azacyclohepta-1,3,5,6-tetraene
PubChem CID123793081
Molecular FormulaC6H4FN
Molecular Weight109.10 g/mol
Exact Mass109.03
IUPAC Name2-fluoro-1-azacyclohepta-1,3,5,6-tetraene
SMILESFC1=NC=C=CC=C1
InChIInChI=1S/C6H4FN/c7-6-4-2-1-3-5-8-6/h1-2,4-5H
InChIKeyZBRUOBMYFZMVHY-UHFFFAOYSA-N
XLogP1.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.10
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-1-azacyclohepta-1,3,5,6-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 2-fluoro-1-azacyclohepta-1,3,5,6-tetraene?
The IUPAC name of 2-fluoro-1-azacyclohepta-1,3,5,6-tetraene (CID 123793081) is 2-fluoro-1-azacyclohepta-1,3,5,6-tetraene.
What is the SMILES notation for 2-fluoro-1-azacyclohepta-1,3,5,6-tetraene?
The canonical SMILES for 2-fluoro-1-azacyclohepta-1,3,5,6-tetraene is FC1=NC=C=CC=C1.
What is the InChIKey of 2-fluoro-1-azacyclohepta-1,3,5,6-tetraene?
The InChIKey is ZBRUOBMYFZMVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FN/c7-6-4-2-1-3-5-8-6/h1-2,4-5H.
What are the key properties of 2-fluoro-1-azacyclohepta-1,3,5,6-tetraene?
2-fluoro-1-azacyclohepta-1,3,5,6-tetraene has a molecular weight of 109.10 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-azacyclohepta-1,3,5,6-tetraene is sourced from PubChem (CID 123793081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).