(1R,8R,11S)-1,11-dibromotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

C11H8Br2 — CID 102348577

IUPAC(1R,8R,11S)-1,11-dibromotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESBr[C@H]1[C@@H]2C=C[C@@]1(Br)c1ccccc12
InChIInChI=1S/C11H8Br2/c12-10-8-5-6-11(10,13)9-4-2-1-3-7(8)9/h1-6,8,10H/t8-,10+,11-/m1/s1
InChIKeyIFEDAERFUBYIMJ-DVVUODLYSA-N
MW299.99 g/mol
LogP3.71
Rot. Bonds

About (1R,8R,11S)-1,11-dibromotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

(1R,8R,11S)-1,11-dibromotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (PubChem CID 102348577) has the molecular formula C11H8Br2 and a molecular weight of 299.99 g/mol. Its IUPAC name is (1R,8R,11S)-1,11-dibromotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.

Molecular Properties

Compound Name(1R,8R,11S)-1,11-dibromotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
PubChem CID102348577
Molecular FormulaC11H8Br2
Molecular Weight299.99 g/mol
Exact Mass297.90
IUPAC Name(1R,8R,11S)-1,11-dibromotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESBr[C@H]1[C@@H]2C=C[C@@]1(Br)c1ccccc12
InChIInChI=1S/C11H8Br2/c12-10-8-5-6-11(10,13)9-4-2-1-3-7(8)9/h1-6,8,10H/t8-,10+,11-/m1/s1
InChIKeyIFEDAERFUBYIMJ-DVVUODLYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.99
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,8R,11S)-1,11-dibromotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The IUPAC name of (1R,8R,11S)-1,11-dibromotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (CID 102348577) is (1R,8R,11S)-1,11-dibromotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.
What is the SMILES notation for (1R,8R,11S)-1,11-dibromotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The canonical SMILES for (1R,8R,11S)-1,11-dibromotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is Br[C@H]1[C@@H]2C=C[C@@]1(Br)c1ccccc12.
What is the InChIKey of (1R,8R,11S)-1,11-dibromotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The InChIKey is IFEDAERFUBYIMJ-DVVUODLYSA-N. The full InChI is InChI=1S/C11H8Br2/c12-10-8-5-6-11(10,13)9-4-2-1-3-7(8)9/h1-6,8,10H/t8-,10+,11-/m1/s1.
What are the key properties of (1R,8R,11S)-1,11-dibromotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
(1R,8R,11S)-1,11-dibromotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene has a molecular weight of 299.99 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R,11S)-1,11-dibromotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is sourced from PubChem (CID 102348577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).