5-[[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene

C11H12F6O2 — CID 87711170

IUPAC5-[[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene
SMILESFC(OC(F)(F)F)C(F)(F)OCC1CC2C=CC1C2
InChIInChI=1S/C11H12F6O2/c12-9(19-11(15,16)17)10(13,14)18-5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2
InChIKeyFWFYQDQLYBAOLA-UHFFFAOYSA-N
MW290.20 g/mol
LogP3.64
Rot. Bonds5

About 5-[[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene

5-[[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene (PubChem CID 87711170) has the molecular formula C11H12F6O2 and a molecular weight of 290.20 g/mol. Its IUPAC name is 5-[[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-[[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene
PubChem CID87711170
Molecular FormulaC11H12F6O2
Molecular Weight290.20 g/mol
Exact Mass290.07
IUPAC Name5-[[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene
SMILESFC(OC(F)(F)F)C(F)(F)OCC1CC2C=CC1C2
InChIInChI=1S/C11H12F6O2/c12-9(19-11(15,16)17)10(13,14)18-5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2
InChIKeyFWFYQDQLYBAOLA-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-[[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene (CID 87711170) is 5-[[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-[[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-[[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene is FC(OC(F)(F)F)C(F)(F)OCC1CC2C=CC1C2.
What is the InChIKey of 5-[[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene?
The InChIKey is FWFYQDQLYBAOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F6O2/c12-9(19-11(15,16)17)10(13,14)18-5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2.
What are the key properties of 5-[[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene?
5-[[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 290.20 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 87711170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).