(1R,8S,9R,10R)-1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene

C11H9Br3 — CID 124536667

IUPAC(1R,8S,9R,10R)-1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESBr[C@H]1[C@@H](Br)[C@@]2(Br)C[C@H]1c1ccccc12
InChIInChI=1S/C11H9Br3/c12-9-7-5-11(14,10(9)13)8-4-2-1-3-6(7)8/h1-4,7,9-10H,5H2/t7-,9+,10+,11+/m0/s1
InChIKeyKKWOYYHIDKQBPV-AYHFEMFVSA-N
MW380.91 g/mol
LogP4.30
Rot. Bonds

About (1R,8S,9R,10R)-1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene

(1R,8S,9R,10R)-1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 124536667) has the molecular formula C11H9Br3 and a molecular weight of 380.91 g/mol. Its IUPAC name is (1R,8S,9R,10R)-1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name(1R,8S,9R,10R)-1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID124536667
Molecular FormulaC11H9Br3
Molecular Weight380.91 g/mol
Exact Mass377.83
IUPAC Name(1R,8S,9R,10R)-1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESBr[C@H]1[C@@H](Br)[C@@]2(Br)C[C@H]1c1ccccc12
InChIInChI=1S/C11H9Br3/c12-9-7-5-11(14,10(9)13)8-4-2-1-3-6(7)8/h1-4,7,9-10H,5H2/t7-,9+,10+,11+/m0/s1
InChIKeyKKWOYYHIDKQBPV-AYHFEMFVSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.91
LogP ≤ 54.30
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 (1R,8S,9R,10R)-1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of (1R,8S,9R,10R)-1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 124536667) is (1R,8S,9R,10R)-1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for (1R,8S,9R,10R)-1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for (1R,8S,9R,10R)-1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene is Br[C@H]1[C@@H](Br)[C@@]2(Br)C[C@H]1c1ccccc12.
What is the InChIKey of (1R,8S,9R,10R)-1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is KKWOYYHIDKQBPV-AYHFEMFVSA-N. The full InChI is InChI=1S/C11H9Br3/c12-9-7-5-11(14,10(9)13)8-4-2-1-3-6(7)8/h1-4,7,9-10H,5H2/t7-,9+,10+,11+/m0/s1.
What are the key properties of (1R,8S,9R,10R)-1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
(1R,8S,9R,10R)-1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 380.91 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S,9R,10R)-1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 124536667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).