4,5,6,7,8,9-hexafluorobenzo[g][2,1,3]benzothiadiazole

C10F6N2S — CID 134909937

IUPAC4,5,6,7,8,9-hexafluorobenzo[g][2,1,3]benzothiadiazole
SMILESFc1c(F)c(F)c2c(c1F)c(F)c(F)c1nsnc12
InChIInChI=1S/C10F6N2S/c11-3-1-2(5(13)7(15)6(3)14)9-10(18-19-17-9)8(16)4(1)12
InChIKeyWLYKYWBWKHXHOX-UHFFFAOYSA-N
MW294.18 g/mol
LogP3.68
Rot. Bonds

About 4,5,6,7,8,9-hexafluorobenzo[g][2,1,3]benzothiadiazole

4,5,6,7,8,9-hexafluorobenzo[g][2,1,3]benzothiadiazole (PubChem CID 134909937) has the molecular formula C10F6N2S and a molecular weight of 294.18 g/mol. Its IUPAC name is 4,5,6,7,8,9-hexafluorobenzo[g][2,1,3]benzothiadiazole.

Molecular Properties

Compound Name4,5,6,7,8,9-hexafluorobenzo[g][2,1,3]benzothiadiazole
PubChem CID134909937
Molecular FormulaC10F6N2S
Molecular Weight294.18 g/mol
Exact Mass293.97
IUPAC Name4,5,6,7,8,9-hexafluorobenzo[g][2,1,3]benzothiadiazole
SMILESFc1c(F)c(F)c2c(c1F)c(F)c(F)c1nsnc12
InChIInChI=1S/C10F6N2S/c11-3-1-2(5(13)7(15)6(3)14)9-10(18-19-17-9)8(16)4(1)12
InChIKeyWLYKYWBWKHXHOX-UHFFFAOYSA-N
XLogP3.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7,8,9-hexafluorobenzo[g][2,1,3]benzothiadiazole?
The IUPAC name of 4,5,6,7,8,9-hexafluorobenzo[g][2,1,3]benzothiadiazole (CID 134909937) is 4,5,6,7,8,9-hexafluorobenzo[g][2,1,3]benzothiadiazole.
What is the SMILES notation for 4,5,6,7,8,9-hexafluorobenzo[g][2,1,3]benzothiadiazole?
The canonical SMILES for 4,5,6,7,8,9-hexafluorobenzo[g][2,1,3]benzothiadiazole is Fc1c(F)c(F)c2c(c1F)c(F)c(F)c1nsnc12.
What is the InChIKey of 4,5,6,7,8,9-hexafluorobenzo[g][2,1,3]benzothiadiazole?
The InChIKey is WLYKYWBWKHXHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F6N2S/c11-3-1-2(5(13)7(15)6(3)14)9-10(18-19-17-9)8(16)4(1)12.
What are the key properties of 4,5,6,7,8,9-hexafluorobenzo[g][2,1,3]benzothiadiazole?
4,5,6,7,8,9-hexafluorobenzo[g][2,1,3]benzothiadiazole has a molecular weight of 294.18 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7,8,9-hexafluorobenzo[g][2,1,3]benzothiadiazole is sourced from PubChem (CID 134909937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).