trans-(1R,2R)-1-bromo-2-iodocyclohexane

C6H10BrI — CID 12575011

IUPACtrans-(1R,2R)-1-bromo-2-iodocyclohexane
SMILESBr[C@@H]1CCCC[C@H]1I
InChIInChI=1S/C6H10BrI/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2/t5-,6-/m1/s1
InChIKeySNRLGKOMTQODJG-PHDIDXHHSA-N
MW288.95 g/mol
LogP3.13
Rot. Bonds

About trans-(1R,2R)-1-bromo-2-iodocyclohexane

trans-(1R,2R)-1-bromo-2-iodocyclohexane (PubChem CID 12575011) has the molecular formula C6H10BrI and a molecular weight of 288.95 g/mol. Its IUPAC name is trans-(1R,2R)-1-bromo-2-iodocyclohexane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-bromo-2-iodocyclohexane
PubChem CID12575011
Molecular FormulaC6H10BrI
Molecular Weight288.95 g/mol
Exact Mass287.90
IUPAC Nametrans-(1R,2R)-1-bromo-2-iodocyclohexane
SMILESBr[C@@H]1CCCC[C@H]1I
InChIInChI=1S/C6H10BrI/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2/t5-,6-/m1/s1
InChIKeySNRLGKOMTQODJG-PHDIDXHHSA-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 trans-(1R,2R)-1-bromo-2-iodocyclohexane?
The IUPAC name of trans-(1R,2R)-1-bromo-2-iodocyclohexane (CID 12575011) is trans-(1R,2R)-1-bromo-2-iodocyclohexane.
What is the SMILES notation for trans-(1R,2R)-1-bromo-2-iodocyclohexane?
The canonical SMILES for trans-(1R,2R)-1-bromo-2-iodocyclohexane is Br[C@@H]1CCCC[C@H]1I.
What is the InChIKey of trans-(1R,2R)-1-bromo-2-iodocyclohexane?
The InChIKey is SNRLGKOMTQODJG-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H10BrI/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-1-bromo-2-iodocyclohexane?
trans-(1R,2R)-1-bromo-2-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 trans-(1R,2R)-1-bromo-2-iodocyclohexane is sourced from PubChem (CID 12575011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).