bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene

C12F8I2N2 — CID 102102069

IUPACbis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene
SMILESFc1c(F)c(/N=N/c2c(F)c(F)c(I)c(F)c2F)c(F)c(F)c1I
InChIInChI=1S/C12F8I2N2/c13-1-5(17)11(6(18)2(14)9(1)21)23-24-12-7(19)3(15)10(22)4(16)8(12)20/b24-23+
InChIKeyBFAKENXZKHGIGE-WCWDXBQESA-N
MW577.94 g/mol
LogP6.42
Rot. Bonds2

About bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene

bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene (PubChem CID 102102069) has the molecular formula C12F8I2N2 and a molecular weight of 577.94 g/mol. Its IUPAC name is bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene.

Molecular Properties

Compound Namebis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene
PubChem CID102102069
Molecular FormulaC12F8I2N2
Molecular Weight577.94 g/mol
Exact Mass577.80
IUPAC Namebis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene
SMILESFc1c(F)c(/N=N/c2c(F)c(F)c(I)c(F)c2F)c(F)c(F)c1I
InChIInChI=1S/C12F8I2N2/c13-1-5(17)11(6(18)2(14)9(1)21)23-24-12-7(19)3(15)10(22)4(16)8(12)20/b24-23+
InChIKeyBFAKENXZKHGIGE-WCWDXBQESA-N
XLogP6.42
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.94
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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 bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene?
The IUPAC name of bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene (CID 102102069) is bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene.
What is the SMILES notation for bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene?
The canonical SMILES for bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene is Fc1c(F)c(/N=N/c2c(F)c(F)c(I)c(F)c2F)c(F)c(F)c1I.
What is the InChIKey of bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene?
The InChIKey is BFAKENXZKHGIGE-WCWDXBQESA-N. The full InChI is InChI=1S/C12F8I2N2/c13-1-5(17)11(6(18)2(14)9(1)21)23-24-12-7(19)3(15)10(22)4(16)8(12)20/b24-23+.
What are the key properties of bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene?
bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene has a molecular weight of 577.94 g/mol, XLogP of 6.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene is sourced from PubChem (CID 102102069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).