(4-chlorophenyl)-(4,5-difluoro-2-iodophenyl)diazene

C12H6ClF2IN2 — CID 86640263

IUPAC(4-chlorophenyl)-(4,5-difluoro-2-iodophenyl)diazene
SMILESFc1cc(I)c(/N=N/c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C12H6ClF2IN2/c13-7-1-3-8(4-2-7)17-18-12-6-10(15)9(14)5-11(12)16/h1-6H/b18-17+
InChIKeyBQMCXXXPYCTWJK-ISLYRVAYSA-N
MW378.55 g/mol
LogP5.64
Rot. Bonds2

About (4-chlorophenyl)-(4,5-difluoro-2-iodophenyl)diazene

(4-chlorophenyl)-(4,5-difluoro-2-iodophenyl)diazene (PubChem CID 86640263) has the molecular formula C12H6ClF2IN2 and a molecular weight of 378.55 g/mol. Its IUPAC name is (4-chlorophenyl)-(4,5-difluoro-2-iodophenyl)diazene.

Molecular Properties

Compound Name(4-chlorophenyl)-(4,5-difluoro-2-iodophenyl)diazene
PubChem CID86640263
Molecular FormulaC12H6ClF2IN2
Molecular Weight378.55 g/mol
Exact Mass377.92
IUPAC Name(4-chlorophenyl)-(4,5-difluoro-2-iodophenyl)diazene
SMILESFc1cc(I)c(/N=N/c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C12H6ClF2IN2/c13-7-1-3-8(4-2-7)17-18-12-6-10(15)9(14)5-11(12)16/h1-6H/b18-17+
InChIKeyBQMCXXXPYCTWJK-ISLYRVAYSA-N
XLogP5.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.55
LogP ≤ 55.64
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': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4,5-difluoro-2-iodophenyl)diazene?
The IUPAC name of (4-chlorophenyl)-(4,5-difluoro-2-iodophenyl)diazene (CID 86640263) is (4-chlorophenyl)-(4,5-difluoro-2-iodophenyl)diazene.
What is the SMILES notation for (4-chlorophenyl)-(4,5-difluoro-2-iodophenyl)diazene?
The canonical SMILES for (4-chlorophenyl)-(4,5-difluoro-2-iodophenyl)diazene is Fc1cc(I)c(/N=N/c2ccc(Cl)cc2)cc1F.
What is the InChIKey of (4-chlorophenyl)-(4,5-difluoro-2-iodophenyl)diazene?
The InChIKey is BQMCXXXPYCTWJK-ISLYRVAYSA-N. The full InChI is InChI=1S/C12H6ClF2IN2/c13-7-1-3-8(4-2-7)17-18-12-6-10(15)9(14)5-11(12)16/h1-6H/b18-17+.
What are the key properties of (4-chlorophenyl)-(4,5-difluoro-2-iodophenyl)diazene?
(4-chlorophenyl)-(4,5-difluoro-2-iodophenyl)diazene has a molecular weight of 378.55 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4,5-difluoro-2-iodophenyl)diazene is sourced from PubChem (CID 86640263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).