9-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene

C11H6BrF3O — CID 84820381

IUPAC9-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
SMILESFC(F)(F)c1cccc2c1C1C=C(Br)C2O1
InChIInChI=1S/C11H6BrF3O/c12-7-4-8-9-5(10(7)16-8)2-1-3-6(9)11(13,14)15/h1-4,8,10H
InChIKeyNYFKHWIYOJGVDJ-UHFFFAOYSA-N
MW291.07 g/mol
LogP4.11
Rot. Bonds

About 9-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene

9-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene (PubChem CID 84820381) has the molecular formula C11H6BrF3O and a molecular weight of 291.07 g/mol. Its IUPAC name is 9-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene.

Molecular Properties

Compound Name9-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
PubChem CID84820381
Molecular FormulaC11H6BrF3O
Molecular Weight291.07 g/mol
Exact Mass289.96
IUPAC Name9-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
SMILESFC(F)(F)c1cccc2c1C1C=C(Br)C2O1
InChIInChI=1S/C11H6BrF3O/c12-7-4-8-9-5(10(7)16-8)2-1-3-6(9)11(13,14)15/h1-4,8,10H
InChIKeyNYFKHWIYOJGVDJ-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.07
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The IUPAC name of 9-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene (CID 84820381) is 9-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene.
What is the SMILES notation for 9-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The canonical SMILES for 9-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene is FC(F)(F)c1cccc2c1C1C=C(Br)C2O1.
What is the InChIKey of 9-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The InChIKey is NYFKHWIYOJGVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF3O/c12-7-4-8-9-5(10(7)16-8)2-1-3-6(9)11(13,14)15/h1-4,8,10H.
What are the key properties of 9-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
9-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene has a molecular weight of 291.07 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene is sourced from PubChem (CID 84820381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).