5,5,6-trifluoro-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene

C7H4F6O — CID 147284288

IUPAC5,5,6-trifluoro-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C1(F)C2C=CC(O2)C1(F)F
InChIInChI=1S/C7H4F6O/c8-5(7(11,12)13)3-1-2-4(14-3)6(5,9)10/h1-4H
InChIKeyCSXRQOZXCIGVLZ-UHFFFAOYSA-N
MW218.10 g/mol
LogP2.23
Rot. Bonds

About 5,5,6-trifluoro-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene

5,5,6-trifluoro-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 147284288) has the molecular formula C7H4F6O and a molecular weight of 218.10 g/mol. Its IUPAC name is 5,5,6-trifluoro-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5,5,6-trifluoro-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID147284288
Molecular FormulaC7H4F6O
Molecular Weight218.10 g/mol
Exact Mass218.02
IUPAC Name5,5,6-trifluoro-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C1(F)C2C=CC(O2)C1(F)F
InChIInChI=1S/C7H4F6O/c8-5(7(11,12)13)3-1-2-4(14-3)6(5,9)10/h1-4H
InChIKeyCSXRQOZXCIGVLZ-UHFFFAOYSA-N
XLogP2.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5,5,6-trifluoro-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5,5,6-trifluoro-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene (CID 147284288) is 5,5,6-trifluoro-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5,5,6-trifluoro-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5,5,6-trifluoro-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene is FC(F)(F)C1(F)C2C=CC(O2)C1(F)F.
What is the InChIKey of 5,5,6-trifluoro-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is CSXRQOZXCIGVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F6O/c8-5(7(11,12)13)3-1-2-4(14-3)6(5,9)10/h1-4H.
What are the key properties of 5,5,6-trifluoro-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
5,5,6-trifluoro-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 218.10 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6-trifluoro-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 147284288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).