6-diazo-2-fluorocyclohexa-1,3-diene

C6H5FN2 — CID 57085086

IUPAC6-diazo-2-fluorocyclohexa-1,3-diene
SMILES[N-]=[N+]=C1C=C(F)C=CC1
InChIInChI=1S/C6H5FN2/c7-5-2-1-3-6(4-5)9-8/h1-2,4H,3H2
InChIKeyDCJWTGOOPMQLAL-UHFFFAOYSA-N
MW124.12 g/mol
LogP1.47
Rot. Bonds

About 6-diazo-2-fluorocyclohexa-1,3-diene

6-diazo-2-fluorocyclohexa-1,3-diene (PubChem CID 57085086) has the molecular formula C6H5FN2 and a molecular weight of 124.12 g/mol. Its IUPAC name is 6-diazo-2-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name6-diazo-2-fluorocyclohexa-1,3-diene
PubChem CID57085086
Molecular FormulaC6H5FN2
Molecular Weight124.12 g/mol
Exact Mass124.04
IUPAC Name6-diazo-2-fluorocyclohexa-1,3-diene
SMILES[N-]=[N+]=C1C=C(F)C=CC1
InChIInChI=1S/C6H5FN2/c7-5-2-1-3-6(4-5)9-8/h1-2,4H,3H2
InChIKeyDCJWTGOOPMQLAL-UHFFFAOYSA-N
XLogP1.47
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.12
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-diazo-2-fluorocyclohexa-1,3-diene?
The IUPAC name of 6-diazo-2-fluorocyclohexa-1,3-diene (CID 57085086) is 6-diazo-2-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 6-diazo-2-fluorocyclohexa-1,3-diene?
The canonical SMILES for 6-diazo-2-fluorocyclohexa-1,3-diene is [N-]=[N+]=C1C=C(F)C=CC1.
What is the InChIKey of 6-diazo-2-fluorocyclohexa-1,3-diene?
The InChIKey is DCJWTGOOPMQLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2/c7-5-2-1-3-6(4-5)9-8/h1-2,4H,3H2.
What are the key properties of 6-diazo-2-fluorocyclohexa-1,3-diene?
6-diazo-2-fluorocyclohexa-1,3-diene has a molecular weight of 124.12 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazo-2-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 57085086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).