1-(difluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene

C7H8F2O — CID 150728567

IUPAC1-(difluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESFC(F)C12C=CC(CC1)O2
InChIInChI=1S/C7H8F2O/c8-6(9)7-3-1-5(10-7)2-4-7/h1,3,5-6H,2,4H2
InChIKeyJRIUQLJVZYCRRV-UHFFFAOYSA-N
MW146.14 g/mol
LogP1.74
Rot. Bonds1

About 1-(difluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene

1-(difluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 150728567) has the molecular formula C7H8F2O and a molecular weight of 146.14 g/mol. Its IUPAC name is 1-(difluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1-(difluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID150728567
Molecular FormulaC7H8F2O
Molecular Weight146.14 g/mol
Exact Mass146.05
IUPAC Name1-(difluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESFC(F)C12C=CC(CC1)O2
InChIInChI=1S/C7H8F2O/c8-6(9)7-3-1-5(10-7)2-4-7/h1,3,5-6H,2,4H2
InChIKeyJRIUQLJVZYCRRV-UHFFFAOYSA-N
XLogP1.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 51.74
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 1-(difluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1-(difluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene (CID 150728567) is 1-(difluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1-(difluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1-(difluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene is FC(F)C12C=CC(CC1)O2.
What is the InChIKey of 1-(difluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is JRIUQLJVZYCRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O/c8-6(9)7-3-1-5(10-7)2-4-7/h1,3,5-6H,2,4H2.
What are the key properties of 1-(difluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
1-(difluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 146.14 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 150728567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).