[4,6-bis(iodomethyl)cyclohexa-2,4-dien-1-yl]hydrazine

C8H12I2N2 — CID 89313156

IUPAC[4,6-bis(iodomethyl)cyclohexa-2,4-dien-1-yl]hydrazine
SMILESNNC1C=CC(CI)=CC1CI
InChIInChI=1S/C8H12I2N2/c9-4-6-1-2-8(12-11)7(3-6)5-10/h1-3,7-8,12H,4-5,11H2
InChIKeyQAJVTYKMMSKNDF-UHFFFAOYSA-N
MW390.01 g/mol
LogP1.80
Rot. Bonds3

About [4,6-bis(iodomethyl)cyclohexa-2,4-dien-1-yl]hydrazine

[4,6-bis(iodomethyl)cyclohexa-2,4-dien-1-yl]hydrazine (PubChem CID 89313156) has the molecular formula C8H12I2N2 and a molecular weight of 390.01 g/mol. Its IUPAC name is [4,6-bis(iodomethyl)cyclohexa-2,4-dien-1-yl]hydrazine.

Molecular Properties

Compound Name[4,6-bis(iodomethyl)cyclohexa-2,4-dien-1-yl]hydrazine
PubChem CID89313156
Molecular FormulaC8H12I2N2
Molecular Weight390.01 g/mol
Exact Mass389.91
IUPAC Name[4,6-bis(iodomethyl)cyclohexa-2,4-dien-1-yl]hydrazine
SMILESNNC1C=CC(CI)=CC1CI
InChIInChI=1S/C8H12I2N2/c9-4-6-1-2-8(12-11)7(3-6)5-10/h1-3,7-8,12H,4-5,11H2
InChIKeyQAJVTYKMMSKNDF-UHFFFAOYSA-N
XLogP1.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.01
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4,6-bis(iodomethyl)cyclohexa-2,4-dien-1-yl]hydrazine?
The IUPAC name of [4,6-bis(iodomethyl)cyclohexa-2,4-dien-1-yl]hydrazine (CID 89313156) is [4,6-bis(iodomethyl)cyclohexa-2,4-dien-1-yl]hydrazine.
What is the SMILES notation for [4,6-bis(iodomethyl)cyclohexa-2,4-dien-1-yl]hydrazine?
The canonical SMILES for [4,6-bis(iodomethyl)cyclohexa-2,4-dien-1-yl]hydrazine is NNC1C=CC(CI)=CC1CI.
What is the InChIKey of [4,6-bis(iodomethyl)cyclohexa-2,4-dien-1-yl]hydrazine?
The InChIKey is QAJVTYKMMSKNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12I2N2/c9-4-6-1-2-8(12-11)7(3-6)5-10/h1-3,7-8,12H,4-5,11H2.
What are the key properties of [4,6-bis(iodomethyl)cyclohexa-2,4-dien-1-yl]hydrazine?
[4,6-bis(iodomethyl)cyclohexa-2,4-dien-1-yl]hydrazine has a molecular weight of 390.01 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(iodomethyl)cyclohexa-2,4-dien-1-yl]hydrazine is sourced from PubChem (CID 89313156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).