9-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene

C11H9F3O — CID 134965874

IUPAC9-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESFC(F)(F)C1CC2OC1c1ccccc12
InChIInChI=1S/C11H9F3O/c12-11(13,14)8-5-9-6-3-1-2-4-7(6)10(8)15-9/h1-4,8-10H,5H2
InChIKeyHOBRKRGRVARNRT-UHFFFAOYSA-N
MW214.19 g/mol
LogP3.38
Rot. Bonds

About 9-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene

9-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 134965874) has the molecular formula C11H9F3O and a molecular weight of 214.19 g/mol. Its IUPAC name is 9-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name9-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID134965874
Molecular FormulaC11H9F3O
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name9-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESFC(F)(F)C1CC2OC1c1ccccc12
InChIInChI=1S/C11H9F3O/c12-11(13,14)8-5-9-6-3-1-2-4-7(6)10(8)15-9/h1-4,8-10H,5H2
InChIKeyHOBRKRGRVARNRT-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of 9-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 134965874) is 9-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for 9-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for 9-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene is FC(F)(F)C1CC2OC1c1ccccc12.
What is the InChIKey of 9-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is HOBRKRGRVARNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O/c12-11(13,14)8-5-9-6-3-1-2-4-7(6)10(8)15-9/h1-4,8-10H,5H2.
What are the key properties of 9-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
9-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 214.19 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 134965874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).