5,6-difluoro-4,7-diiodo-2,1,3-benzoxadiazole

C6F2I2N2O — CID 71242232

IUPAC5,6-difluoro-4,7-diiodo-2,1,3-benzoxadiazole
SMILESFc1c(F)c(I)c2nonc2c1I
InChIInChI=1S/C6F2I2N2O/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6
InChIKeyUZTFCJONZIHZGA-UHFFFAOYSA-N
MW407.88 g/mol
LogP2.71
Rot. Bonds

About 5,6-difluoro-4,7-diiodo-2,1,3-benzoxadiazole

5,6-difluoro-4,7-diiodo-2,1,3-benzoxadiazole (PubChem CID 71242232) has the molecular formula C6F2I2N2O and a molecular weight of 407.88 g/mol. Its IUPAC name is 5,6-difluoro-4,7-diiodo-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name5,6-difluoro-4,7-diiodo-2,1,3-benzoxadiazole
PubChem CID71242232
Molecular FormulaC6F2I2N2O
Molecular Weight407.88 g/mol
Exact Mass407.81
IUPAC Name5,6-difluoro-4,7-diiodo-2,1,3-benzoxadiazole
SMILESFc1c(F)c(I)c2nonc2c1I
InChIInChI=1S/C6F2I2N2O/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6
InChIKeyUZTFCJONZIHZGA-UHFFFAOYSA-N
XLogP2.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 52.71
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-4,7-diiodo-2,1,3-benzoxadiazole?
The IUPAC name of 5,6-difluoro-4,7-diiodo-2,1,3-benzoxadiazole (CID 71242232) is 5,6-difluoro-4,7-diiodo-2,1,3-benzoxadiazole.
What is the SMILES notation for 5,6-difluoro-4,7-diiodo-2,1,3-benzoxadiazole?
The canonical SMILES for 5,6-difluoro-4,7-diiodo-2,1,3-benzoxadiazole is Fc1c(F)c(I)c2nonc2c1I.
What is the InChIKey of 5,6-difluoro-4,7-diiodo-2,1,3-benzoxadiazole?
The InChIKey is UZTFCJONZIHZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F2I2N2O/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6.
What are the key properties of 5,6-difluoro-4,7-diiodo-2,1,3-benzoxadiazole?
5,6-difluoro-4,7-diiodo-2,1,3-benzoxadiazole has a molecular weight of 407.88 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-4,7-diiodo-2,1,3-benzoxadiazole is sourced from PubChem (CID 71242232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).