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

C11H10ClF — CID 134996157

IUPAC(1R,8R,9S,11R)-11-chloro-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESF[C@H]1C[C@@H]2c3ccccc3[C@H]1[C@@H]2Cl
InChIInChI=1S/C11H10ClF/c12-11-8-5-9(13)10(11)7-4-2-1-3-6(7)8/h1-4,8-11H,5H2/t8-,9+,10-,11-/m1/s1
InChIKeyQNLBKLLLVSAORX-LMLFDSFASA-N
MW196.65 g/mol
LogP3.22
Rot. Bonds

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

(1R,8R,9S,11R)-11-chloro-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 134996157) has the molecular formula C11H10ClF and a molecular weight of 196.65 g/mol. Its IUPAC name is (1R,8R,9S,11R)-11-chloro-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name(1R,8R,9S,11R)-11-chloro-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID134996157
Molecular FormulaC11H10ClF
Molecular Weight196.65 g/mol
Exact Mass196.05
IUPAC Name(1R,8R,9S,11R)-11-chloro-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESF[C@H]1C[C@@H]2c3ccccc3[C@H]1[C@@H]2Cl
InChIInChI=1S/C11H10ClF/c12-11-8-5-9(13)10(11)7-4-2-1-3-6(7)8/h1-4,8-11H,5H2/t8-,9+,10-,11-/m1/s1
InChIKeyQNLBKLLLVSAORX-LMLFDSFASA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.65
LogP ≤ 53.22
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,8R,9S,11R)-11-chloro-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of (1R,8R,9S,11R)-11-chloro-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 134996157) is (1R,8R,9S,11R)-11-chloro-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for (1R,8R,9S,11R)-11-chloro-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for (1R,8R,9S,11R)-11-chloro-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene is F[C@H]1C[C@@H]2c3ccccc3[C@H]1[C@@H]2Cl.
What is the InChIKey of (1R,8R,9S,11R)-11-chloro-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is QNLBKLLLVSAORX-LMLFDSFASA-N. The full InChI is InChI=1S/C11H10ClF/c12-11-8-5-9(13)10(11)7-4-2-1-3-6(7)8/h1-4,8-11H,5H2/t8-,9+,10-,11-/m1/s1.
What are the key properties of (1R,8R,9S,11R)-11-chloro-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
(1R,8R,9S,11R)-11-chloro-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 196.65 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R,9S,11R)-11-chloro-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 134996157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).