5,6-difluoro-2-oxabicyclo[2.2.1]hept-5-ene

C6H6F2O — CID 140599290

IUPAC5,6-difluoro-2-oxabicyclo[2.2.1]hept-5-ene
SMILESFC1=C(F)C2CC1CO2
InChIInChI=1S/C6H6F2O/c7-5-3-1-4(6(5)8)9-2-3/h3-4H,1-2H2
InChIKeyJNXSXZPNBYARHS-UHFFFAOYSA-N
MW132.11 g/mol
LogP1.56
Rot. Bonds

About 5,6-difluoro-2-oxabicyclo[2.2.1]hept-5-ene

5,6-difluoro-2-oxabicyclo[2.2.1]hept-5-ene (PubChem CID 140599290) has the molecular formula C6H6F2O and a molecular weight of 132.11 g/mol. Its IUPAC name is 5,6-difluoro-2-oxabicyclo[2.2.1]hept-5-ene.

Molecular Properties

Compound Name5,6-difluoro-2-oxabicyclo[2.2.1]hept-5-ene
PubChem CID140599290
Molecular FormulaC6H6F2O
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name5,6-difluoro-2-oxabicyclo[2.2.1]hept-5-ene
SMILESFC1=C(F)C2CC1CO2
InChIInChI=1S/C6H6F2O/c7-5-3-1-4(6(5)8)9-2-3/h3-4H,1-2H2
InChIKeyJNXSXZPNBYARHS-UHFFFAOYSA-N
XLogP1.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-oxabicyclo[2.2.1]hept-5-ene?
The IUPAC name of 5,6-difluoro-2-oxabicyclo[2.2.1]hept-5-ene (CID 140599290) is 5,6-difluoro-2-oxabicyclo[2.2.1]hept-5-ene.
What is the SMILES notation for 5,6-difluoro-2-oxabicyclo[2.2.1]hept-5-ene?
The canonical SMILES for 5,6-difluoro-2-oxabicyclo[2.2.1]hept-5-ene is FC1=C(F)C2CC1CO2.
What is the InChIKey of 5,6-difluoro-2-oxabicyclo[2.2.1]hept-5-ene?
The InChIKey is JNXSXZPNBYARHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2O/c7-5-3-1-4(6(5)8)9-2-3/h3-4H,1-2H2.
What are the key properties of 5,6-difluoro-2-oxabicyclo[2.2.1]hept-5-ene?
5,6-difluoro-2-oxabicyclo[2.2.1]hept-5-ene has a molecular weight of 132.11 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-oxabicyclo[2.2.1]hept-5-ene is sourced from PubChem (CID 140599290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).