1-bromo-4-iodocyclohexane

C6H10BrI — CID 20705551

IUPAC1-bromo-4-iodocyclohexane
SMILESBrC1CCC(I)CC1
InChIInChI=1S/C6H10BrI/c7-5-1-3-6(8)4-2-5/h5-6H,1-4H2
InChIKeyYRNCWXVQMCCKGO-UHFFFAOYSA-N
MW288.95 g/mol
LogP3.13
Rot. Bonds

About 1-bromo-4-iodocyclohexane

1-bromo-4-iodocyclohexane (PubChem CID 20705551) has the molecular formula C6H10BrI and a molecular weight of 288.95 g/mol. Its IUPAC name is 1-bromo-4-iodocyclohexane.

Molecular Properties

Compound Name1-bromo-4-iodocyclohexane
PubChem CID20705551
Molecular FormulaC6H10BrI
Molecular Weight288.95 g/mol
Exact Mass287.90
IUPAC Name1-bromo-4-iodocyclohexane
SMILESBrC1CCC(I)CC1
InChIInChI=1S/C6H10BrI/c7-5-1-3-6(8)4-2-5/h5-6H,1-4H2
InChIKeyYRNCWXVQMCCKGO-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.95
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-iodocyclohexane?
The IUPAC name of 1-bromo-4-iodocyclohexane (CID 20705551) is 1-bromo-4-iodocyclohexane.
What is the SMILES notation for 1-bromo-4-iodocyclohexane?
The canonical SMILES for 1-bromo-4-iodocyclohexane is BrC1CCC(I)CC1.
What is the InChIKey of 1-bromo-4-iodocyclohexane?
The InChIKey is YRNCWXVQMCCKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrI/c7-5-1-3-6(8)4-2-5/h5-6H,1-4H2.
What are the key properties of 1-bromo-4-iodocyclohexane?
1-bromo-4-iodocyclohexane has a molecular weight of 288.95 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-iodocyclohexane is sourced from PubChem (CID 20705551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).