trans-(1S,2S)-1,2-dibromocyclohexane

C6H10Br2 — CID 10220423

IUPACtrans-(1S,2S)-1,2-dibromocyclohexane
SMILESBr[C@H]1CCCC[C@@H]1Br
InChIInChI=1S/C6H10Br2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyCZNHKZKWKJNOTE-WDSKDSINSA-N
MW241.95 g/mol
LogP3.09
Rot. Bonds

About trans-(1S,2S)-1,2-dibromocyclohexane

trans-(1S,2S)-1,2-dibromocyclohexane (PubChem CID 10220423) has the molecular formula C6H10Br2 and a molecular weight of 241.95 g/mol. Its IUPAC name is trans-(1S,2S)-1,2-dibromocyclohexane.

Molecular Properties

Compound Nametrans-(1S,2S)-1,2-dibromocyclohexane
PubChem CID10220423
Molecular FormulaC6H10Br2
Molecular Weight241.95 g/mol
Exact Mass239.91
IUPAC Nametrans-(1S,2S)-1,2-dibromocyclohexane
SMILESBr[C@H]1CCCC[C@@H]1Br
InChIInChI=1S/C6H10Br2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyCZNHKZKWKJNOTE-WDSKDSINSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.95
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trans-(1S,2S)-1,2-dibromocyclohexane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1,2-dibromocyclohexane?
The IUPAC name of trans-(1S,2S)-1,2-dibromocyclohexane (CID 10220423) is trans-(1S,2S)-1,2-dibromocyclohexane.
What is the SMILES notation for trans-(1S,2S)-1,2-dibromocyclohexane?
The canonical SMILES for trans-(1S,2S)-1,2-dibromocyclohexane is Br[C@H]1CCCC[C@@H]1Br.
What is the InChIKey of trans-(1S,2S)-1,2-dibromocyclohexane?
The InChIKey is CZNHKZKWKJNOTE-WDSKDSINSA-N. The full InChI is InChI=1S/C6H10Br2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2/t5-,6-/m0/s1.
What are the key properties of trans-(1S,2S)-1,2-dibromocyclohexane?
trans-(1S,2S)-1,2-dibromocyclohexane has a molecular weight of 241.95 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1,2-dibromocyclohexane is sourced from PubChem (CID 10220423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).