3-(3-fluoroprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene

C9H9FO — CID 86735259

IUPAC3-(3-fluoroprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESFC=CCC1=CC2OC2C=C1
InChIInChI=1S/C9H9FO/c10-5-1-2-7-3-4-8-9(6-7)11-8/h1,3-6,8-9H,2H2
InChIKeyUZPXNCWQDLFODI-UHFFFAOYSA-N
MW152.17 g/mol
LogP2.12
Rot. Bonds2

About 3-(3-fluoroprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene

3-(3-fluoroprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 86735259) has the molecular formula C9H9FO and a molecular weight of 152.17 g/mol. Its IUPAC name is 3-(3-fluoroprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name3-(3-fluoroprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene
PubChem CID86735259
Molecular FormulaC9H9FO
Molecular Weight152.17 g/mol
Exact Mass152.06
IUPAC Name3-(3-fluoroprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESFC=CCC1=CC2OC2C=C1
InChIInChI=1S/C9H9FO/c10-5-1-2-7-3-4-8-9(6-7)11-8/h1,3-6,8-9H,2H2
InChIKeyUZPXNCWQDLFODI-UHFFFAOYSA-N
XLogP2.12
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 3-(3-fluoroprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene (CID 86735259) is 3-(3-fluoroprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 3-(3-fluoroprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 3-(3-fluoroprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene is FC=CCC1=CC2OC2C=C1.
What is the InChIKey of 3-(3-fluoroprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is UZPXNCWQDLFODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO/c10-5-1-2-7-3-4-8-9(6-7)11-8/h1,3-6,8-9H,2H2.
What are the key properties of 3-(3-fluoroprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene?
3-(3-fluoroprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 152.17 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 86735259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).