4-fluoro-1-azacyclohepta-2,4,6,7-tetraene

C6H4FN — CID 71331629

IUPAC4-fluoro-1-azacyclohepta-2,4,6,7-tetraene
SMILESFC1=CC=C=NC=C1
InChIInChI=1S/C6H4FN/c7-6-2-1-4-8-5-3-6/h1-3,5H
InChIKeyZORYDXXPTBHUIS-UHFFFAOYSA-N
MW109.10 g/mol
LogP1.59
Rot. Bonds

About 4-fluoro-1-azacyclohepta-2,4,6,7-tetraene

4-fluoro-1-azacyclohepta-2,4,6,7-tetraene (PubChem CID 71331629) has the molecular formula C6H4FN and a molecular weight of 109.10 g/mol. Its IUPAC name is 4-fluoro-1-azacyclohepta-2,4,6,7-tetraene.

Molecular Properties

Compound Name4-fluoro-1-azacyclohepta-2,4,6,7-tetraene
PubChem CID71331629
Molecular FormulaC6H4FN
Molecular Weight109.10 g/mol
Exact Mass109.03
IUPAC Name4-fluoro-1-azacyclohepta-2,4,6,7-tetraene
SMILESFC1=CC=C=NC=C1
InChIInChI=1S/C6H4FN/c7-6-2-1-4-8-5-3-6/h1-3,5H
InChIKeyZORYDXXPTBHUIS-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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-azacyclohepta-2,4,6,7-tetraene?
The IUPAC name of 4-fluoro-1-azacyclohepta-2,4,6,7-tetraene (CID 71331629) is 4-fluoro-1-azacyclohepta-2,4,6,7-tetraene.
What is the SMILES notation for 4-fluoro-1-azacyclohepta-2,4,6,7-tetraene?
The canonical SMILES for 4-fluoro-1-azacyclohepta-2,4,6,7-tetraene is FC1=CC=C=NC=C1.
What is the InChIKey of 4-fluoro-1-azacyclohepta-2,4,6,7-tetraene?
The InChIKey is ZORYDXXPTBHUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FN/c7-6-2-1-4-8-5-3-6/h1-3,5H.
What are the key properties of 4-fluoro-1-azacyclohepta-2,4,6,7-tetraene?
4-fluoro-1-azacyclohepta-2,4,6,7-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 4-fluoro-1-azacyclohepta-2,4,6,7-tetraene is sourced from PubChem (CID 71331629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).