1-chloro-5-diazo-6-fluorocyclohexa-1,3-diene

C6H4ClFN2 — CID 19748491

IUPAC1-chloro-5-diazo-6-fluorocyclohexa-1,3-diene
SMILES[N-]=[N+]=C1C=CC=C(Cl)C1F
InChIInChI=1S/C6H4ClFN2/c7-4-2-1-3-5(10-9)6(4)8/h1-3,6H
InChIKeyCCWYLONXHPZODV-UHFFFAOYSA-N
MW158.56 g/mol
LogP1.69
Rot. Bonds

About 1-chloro-5-diazo-6-fluorocyclohexa-1,3-diene

1-chloro-5-diazo-6-fluorocyclohexa-1,3-diene (PubChem CID 19748491) has the molecular formula C6H4ClFN2 and a molecular weight of 158.56 g/mol. Its IUPAC name is 1-chloro-5-diazo-6-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name1-chloro-5-diazo-6-fluorocyclohexa-1,3-diene
PubChem CID19748491
Molecular FormulaC6H4ClFN2
Molecular Weight158.56 g/mol
Exact Mass158.00
IUPAC Name1-chloro-5-diazo-6-fluorocyclohexa-1,3-diene
SMILES[N-]=[N+]=C1C=CC=C(Cl)C1F
InChIInChI=1S/C6H4ClFN2/c7-4-2-1-3-5(10-9)6(4)8/h1-3,6H
InChIKeyCCWYLONXHPZODV-UHFFFAOYSA-N
XLogP1.69
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.56
LogP ≤ 51.69
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 1-chloro-5-diazo-6-fluorocyclohexa-1,3-diene?
The IUPAC name of 1-chloro-5-diazo-6-fluorocyclohexa-1,3-diene (CID 19748491) is 1-chloro-5-diazo-6-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 1-chloro-5-diazo-6-fluorocyclohexa-1,3-diene?
The canonical SMILES for 1-chloro-5-diazo-6-fluorocyclohexa-1,3-diene is [N-]=[N+]=C1C=CC=C(Cl)C1F.
What is the InChIKey of 1-chloro-5-diazo-6-fluorocyclohexa-1,3-diene?
The InChIKey is CCWYLONXHPZODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFN2/c7-4-2-1-3-5(10-9)6(4)8/h1-3,6H.
What are the key properties of 1-chloro-5-diazo-6-fluorocyclohexa-1,3-diene?
1-chloro-5-diazo-6-fluorocyclohexa-1,3-diene has a molecular weight of 158.56 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-diazo-6-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 19748491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).