(2S)-1,2-dibromocyclohexane

C6H10Br2 — CID 20788561

IUPAC(2S)-1,2-dibromocyclohexane
SMILESBrC1CCCC[C@@H]1Br
InChIInChI=1S/C6H10Br2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2/t5-,6?/m0/s1
InChIKeyCZNHKZKWKJNOTE-ZBHICJROSA-N
MW241.95 g/mol
LogP3.09
Rot. Bonds

About (2S)-1,2-dibromocyclohexane

(2S)-1,2-dibromocyclohexane (PubChem CID 20788561) has the molecular formula C6H10Br2 and a molecular weight of 241.95 g/mol. Its IUPAC name is (2S)-1,2-dibromocyclohexane.

Molecular Properties

Compound Name(2S)-1,2-dibromocyclohexane
PubChem CID20788561
Molecular FormulaC6H10Br2
Molecular Weight241.95 g/mol
Exact Mass239.91
IUPAC Name(2S)-1,2-dibromocyclohexane
SMILESBrC1CCCC[C@@H]1Br
InChIInChI=1S/C6H10Br2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2/t5-,6?/m0/s1
InChIKeyCZNHKZKWKJNOTE-ZBHICJROSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dibromocyclohexane?
The IUPAC name of (2S)-1,2-dibromocyclohexane (CID 20788561) is (2S)-1,2-dibromocyclohexane.
What is the SMILES notation for (2S)-1,2-dibromocyclohexane?
The canonical SMILES for (2S)-1,2-dibromocyclohexane is BrC1CCCC[C@@H]1Br.
What is the InChIKey of (2S)-1,2-dibromocyclohexane?
The InChIKey is CZNHKZKWKJNOTE-ZBHICJROSA-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 (2S)-1,2-dibromocyclohexane?
(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 (2S)-1,2-dibromocyclohexane is sourced from PubChem (CID 20788561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).