9,10-dibromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

C11H7Br2F3O — CID 84820384

IUPAC9,10-dibromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESFC(F)(F)c1cccc2c1C1OC2C(Br)C1Br
InChIInChI=1S/C11H7Br2F3O/c12-7-8(13)10-6-4(9(7)17-10)2-1-3-5(6)11(14,15)16/h1-3,7-10H
InChIKeyXEKDFSULVJVFFF-UHFFFAOYSA-N
MW371.98 g/mol
LogP4.36
Rot. Bonds

About 9,10-dibromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

9,10-dibromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (PubChem CID 84820384) has the molecular formula C11H7Br2F3O and a molecular weight of 371.98 g/mol. Its IUPAC name is 9,10-dibromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.

Molecular Properties

Compound Name9,10-dibromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
PubChem CID84820384
Molecular FormulaC11H7Br2F3O
Molecular Weight371.98 g/mol
Exact Mass369.88
IUPAC Name9,10-dibromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESFC(F)(F)c1cccc2c1C1OC2C(Br)C1Br
InChIInChI=1S/C11H7Br2F3O/c12-7-8(13)10-6-4(9(7)17-10)2-1-3-5(6)11(14,15)16/h1-3,7-10H
InChIKeyXEKDFSULVJVFFF-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.98
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 9,10-dibromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The IUPAC name of 9,10-dibromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (CID 84820384) is 9,10-dibromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.
What is the SMILES notation for 9,10-dibromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The canonical SMILES for 9,10-dibromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is FC(F)(F)c1cccc2c1C1OC2C(Br)C1Br.
What is the InChIKey of 9,10-dibromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The InChIKey is XEKDFSULVJVFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2F3O/c12-7-8(13)10-6-4(9(7)17-10)2-1-3-5(6)11(14,15)16/h1-3,7-10H.
What are the key properties of 9,10-dibromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
9,10-dibromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene has a molecular weight of 371.98 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dibromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is sourced from PubChem (CID 84820384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).