2,3-dibromopropylcyclohexane

C9H16Br2 — CID 118255100

IUPAC2,3-dibromopropylcyclohexane
SMILESBrCC(Br)CC1CCCCC1
InChIInChI=1S/C9H16Br2/c10-7-9(11)6-8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeyXTKIZOCZUKENGG-UHFFFAOYSA-N
MW284.03 g/mol
LogP4.12
Rot. Bonds3

About 2,3-dibromopropylcyclohexane

2,3-dibromopropylcyclohexane (PubChem CID 118255100) has the molecular formula C9H16Br2 and a molecular weight of 284.03 g/mol. Its IUPAC name is 2,3-dibromopropylcyclohexane.

Molecular Properties

Compound Name2,3-dibromopropylcyclohexane
PubChem CID118255100
Molecular FormulaC9H16Br2
Molecular Weight284.03 g/mol
Exact Mass281.96
IUPAC Name2,3-dibromopropylcyclohexane
SMILESBrCC(Br)CC1CCCCC1
InChIInChI=1S/C9H16Br2/c10-7-9(11)6-8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeyXTKIZOCZUKENGG-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.03
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3-dibromopropylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dibromobutylcyclohexane
CID 118255145
(2R)-2-bromo-3-cyclohexylpropan-1-ol
CID 135056962
(3-bromo-2-methylpropyl)cyclohexane
CID 64670797
2-(bromomethyl)but-3-enylcyclopentane
CID 11816786
(2S)-2-bromo-3-cyclohexylpropanoic acid
CID 58736783
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
1,2-dicyclohexylethylcyclohexane
CID 158413043
[(2R)-1-bromobut-3-en-2-yl]cyclohexane
CID 102075703
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
(1-cyclobutyl-3-cyclopentylpropan-2-yl)cyclohexane
CID 174717926
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
2-bromo-3-cyclohexyl-1-cyclopropylpropan-1-one
CID 86710020

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromopropylcyclohexane?
The IUPAC name of 2,3-dibromopropylcyclohexane (CID 118255100) is 2,3-dibromopropylcyclohexane.
What is the SMILES notation for 2,3-dibromopropylcyclohexane?
The canonical SMILES for 2,3-dibromopropylcyclohexane is BrCC(Br)CC1CCCCC1.
What is the InChIKey of 2,3-dibromopropylcyclohexane?
The InChIKey is XTKIZOCZUKENGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Br2/c10-7-9(11)6-8-4-2-1-3-5-8/h8-9H,1-7H2.
What are the key properties of 2,3-dibromopropylcyclohexane?
2,3-dibromopropylcyclohexane has a molecular weight of 284.03 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromopropylcyclohexane is sourced from PubChem (CID 118255100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).