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

Name: 9-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₉F₃O — CID 134965874

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	9-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID	134965874
Molecular Formula	C₁₁H₉F₃O
Molecular Weight	214.19 g/mol
Exact Mass	214.06
IUPAC Name	9-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILES	FC(F)(F)C1CC2OC1c1ccccc12
InChI	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
InChIKey	HOBRKRGRVARNRT-UHFFFAOYSA-N
XLogP	3.38
TPSA	9.23 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	214.19
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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).

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Sources

PubChem CID 134965874 — identifiers, structure, computed properties (public domain)

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