2-fluoro-5-phenyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene

C12H7FO — CID 137346061

IUPAC2-fluoro-5-phenyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
SMILESFc1ccc(-c2ccccc2)c2c1O2
InChIInChI=1S/C12H7FO/c13-10-7-6-9(11-12(10)14-11)8-4-2-1-3-5-8/h1-7H
InChIKeyAWBCDLFQVALPNQ-UHFFFAOYSA-N
MW186.19 g/mol
LogP3.60
Rot. Bonds1

About 2-fluoro-5-phenyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene

2-fluoro-5-phenyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene (PubChem CID 137346061) has the molecular formula C12H7FO and a molecular weight of 186.19 g/mol. Its IUPAC name is 2-fluoro-5-phenyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene.

Molecular Properties

Compound Name2-fluoro-5-phenyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
PubChem CID137346061
Molecular FormulaC12H7FO
Molecular Weight186.19 g/mol
Exact Mass186.05
IUPAC Name2-fluoro-5-phenyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
SMILESFc1ccc(-c2ccccc2)c2c1O2
InChIInChI=1S/C12H7FO/c13-10-7-6-9(11-12(10)14-11)8-4-2-1-3-5-8/h1-7H
InChIKeyAWBCDLFQVALPNQ-UHFFFAOYSA-N
XLogP3.60
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 53.60
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 2-fluoro-5-phenyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene?
The IUPAC name of 2-fluoro-5-phenyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene (CID 137346061) is 2-fluoro-5-phenyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene.
What is the SMILES notation for 2-fluoro-5-phenyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene?
The canonical SMILES for 2-fluoro-5-phenyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene is Fc1ccc(-c2ccccc2)c2c1O2.
What is the InChIKey of 2-fluoro-5-phenyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene?
The InChIKey is AWBCDLFQVALPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FO/c13-10-7-6-9(11-12(10)14-11)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-fluoro-5-phenyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene?
2-fluoro-5-phenyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene has a molecular weight of 186.19 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-phenyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene is sourced from PubChem (CID 137346061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).