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

C11H10Cl2 — CID 23270308

IUPAC(1S,8S,9R)-9,11-dichlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESClC1[C@H]2c3ccccc3[C@@H]1C[C@H]2Cl
InChIInChI=1S/C11H10Cl2/c12-9-5-8-6-3-1-2-4-7(6)10(9)11(8)13/h1-4,8-11H,5H2/t8-,9+,10-,11?/m0/s1
InChIKeyFQHXTLXGPVKSPV-JDUUOCRZSA-N
MW213.11 g/mol
LogP3.49
Rot. Bonds

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

(1S,8S,9R)-9,11-dichlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 23270308) has the molecular formula C11H10Cl2 and a molecular weight of 213.11 g/mol. Its IUPAC name is (1S,8S,9R)-9,11-dichlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name(1S,8S,9R)-9,11-dichlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID23270308
Molecular FormulaC11H10Cl2
Molecular Weight213.11 g/mol
Exact Mass212.02
IUPAC Name(1S,8S,9R)-9,11-dichlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESClC1[C@H]2c3ccccc3[C@@H]1C[C@H]2Cl
InChIInChI=1S/C11H10Cl2/c12-9-5-8-6-3-1-2-4-7(6)10(9)11(8)13/h1-4,8-11H,5H2/t8-,9+,10-,11?/m0/s1
InChIKeyFQHXTLXGPVKSPV-JDUUOCRZSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.11
LogP ≤ 53.49
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 (1S,8S,9R)-9,11-dichlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of (1S,8S,9R)-9,11-dichlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 23270308) is (1S,8S,9R)-9,11-dichlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for (1S,8S,9R)-9,11-dichlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for (1S,8S,9R)-9,11-dichlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene is ClC1[C@H]2c3ccccc3[C@@H]1C[C@H]2Cl.
What is the InChIKey of (1S,8S,9R)-9,11-dichlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is FQHXTLXGPVKSPV-JDUUOCRZSA-N. The full InChI is InChI=1S/C11H10Cl2/c12-9-5-8-6-3-1-2-4-7(6)10(9)11(8)13/h1-4,8-11H,5H2/t8-,9+,10-,11?/m0/s1.
What are the key properties of (1S,8S,9R)-9,11-dichlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
(1S,8S,9R)-9,11-dichlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 213.11 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S,9R)-9,11-dichlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 23270308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).