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

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Related Compounds

5-Fluoro-2-pyridylzinc bromide
CID 49761933
6-Fluoro-3-pyridyllithium
CID 59627487
1-Azacyclohepta-1,3,5,6-tetraene
CID 85965628
(2Z)-N-ethenylpenta-2,4-dienimidoyl fluoride
CID 130206759
N-[(1Z)-buta-1,3-dienyl]prop-2-enimidoyl fluoride
CID 132011259
3,7-difluoro-2H-azepine
CID 143898404
3-fluoro-2H-azepine
CID 144256058
N-[(1Z)-3-fluorobuta-1,3-dienyl]prop-2-enimidoyl fluoride
CID 155133443
chlorozinc(1+);6-fluoro-3H-pyridin-3-ide
CID 135085900
4-Fluoro-1-azacyclohepta-2,4,6,7-tetraene
CID 71331629
3-Fluoro-1-azacyclohepta-1,2,4,6-tetraene
CID 85678145
4-fluoro-2H-azepine
CID 170977640

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).