1,3,5-tribromocyclohexane

C6H9Br3 — CID 121388860

IUPAC1,3,5-tribromocyclohexane
SMILESBrC1CC(Br)CC(Br)C1
InChIInChI=1S/C6H9Br3/c7-4-1-5(8)3-6(9)2-4/h4-6H,1-3H2
InChIKeyMDNZXQNFCMYMPI-UHFFFAOYSA-N
MW320.85 g/mol
LogP3.46
Rot. Bonds

About 1,3,5-tribromocyclohexane

1,3,5-tribromocyclohexane (PubChem CID 121388860) has the molecular formula C6H9Br3 and a molecular weight of 320.85 g/mol. Its IUPAC name is 1,3,5-tribromocyclohexane.

Molecular Properties

Compound Name1,3,5-tribromocyclohexane
PubChem CID121388860
Molecular FormulaC6H9Br3
Molecular Weight320.85 g/mol
Exact Mass317.83
IUPAC Name1,3,5-tribromocyclohexane
SMILESBrC1CC(Br)CC(Br)C1
InChIInChI=1S/C6H9Br3/c7-4-1-5(8)3-6(9)2-4/h4-6H,1-3H2
InChIKeyMDNZXQNFCMYMPI-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tribromocyclohexane?
The IUPAC name of 1,3,5-tribromocyclohexane (CID 121388860) is 1,3,5-tribromocyclohexane.
What is the SMILES notation for 1,3,5-tribromocyclohexane?
The canonical SMILES for 1,3,5-tribromocyclohexane is BrC1CC(Br)CC(Br)C1.
What is the InChIKey of 1,3,5-tribromocyclohexane?
The InChIKey is MDNZXQNFCMYMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Br3/c7-4-1-5(8)3-6(9)2-4/h4-6H,1-3H2.
What are the key properties of 1,3,5-tribromocyclohexane?
1,3,5-tribromocyclohexane has a molecular weight of 320.85 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tribromocyclohexane is sourced from PubChem (CID 121388860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).