1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene

C11H9Br3 — CID 117069834

IUPAC1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESBrC1C2CC(Br)(c3ccccc32)C1Br
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
InChIKeyKKWOYYHIDKQBPV-UHFFFAOYSA-N
MW380.91 g/mol
LogP4.30
Rot. Bonds

About 1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene

1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 117069834) has the molecular formula C11H9Br3 and a molecular weight of 380.91 g/mol. Its IUPAC name is 1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID117069834
Molecular FormulaC11H9Br3
Molecular Weight380.91 g/mol
Exact Mass377.83
IUPAC Name1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESBrC1C2CC(Br)(c3ccccc32)C1Br
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
InChIKeyKKWOYYHIDKQBPV-UHFFFAOYSA-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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Related Compounds

(1R,8S,9R,10R)-1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 124536667
(1R,8S,9S,10R)-1,9,10,11-tetrabromotricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 154735127
(1S,2R,3R)-1,2,3-tribromo-2,3-dihydroindene-1-carbaldehyde
CID 15448002
(1R,8S,10R,11R,12R)-9,9,10,11,12-pentabromotricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 10370378
(1R,8S,10S,11S,12S)-9,9,10,11,12-pentabromotricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 10437604
(1S,8R,10S,11R,12S)-9,9,10,11,12-pentabromotricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 139065287
1-bromo-10-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 131865604
(1R,2S,3S,4R)-2,3-dibromo-1,2,3,4-tetrahydronaphthalene-1,4-diol
CID 12740385
(1R,8R,11S)-1,11-dibromotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 102348577
1-(2-bromo-1-methylcyclopropyl)-2-methylbenzene
CID 102395819
4,4-dimethyl-1,2a,3,8b-tetrahydrocyclobuta[a]naphthalen-2-one
CID 81421411
(1R,4S)-1,4-dibromo-1,2,3,4-tetrahydronaphthalene
CID 45356914

Frequently Asked Questions

What is the IUPAC name of 1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of 1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 117069834) is 1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for 1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for 1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene is BrC1C2CC(Br)(c3ccccc32)C1Br.
What is the InChIKey of 1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is KKWOYYHIDKQBPV-UHFFFAOYSA-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.
What are the key properties of 1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
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 1,9,10-tribromotricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 117069834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).