2-(18F)fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one

C8H5FO — CID 175736121

IUPAC2-(18F)fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one
SMILESO=C1Cc2c([18F])cccc21
InChIInChI=1S/C8H5FO/c9-7-3-1-2-5-6(7)4-8(5)10/h1-3H,4H2/i9-1
InChIKeyGQJWZZYEXMIGTJ-RVRFMXCPSA-N
MW135.13 g/mol
LogP1.56
Rot. Bonds

About 2-(18F)fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one

2-(18F)fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one (PubChem CID 175736121) has the molecular formula C8H5FO and a molecular weight of 135.13 g/mol. Its IUPAC name is 2-(18F)fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one.

Molecular Properties

Compound Name2-(18F)fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one
PubChem CID175736121
Molecular FormulaC8H5FO
Molecular Weight135.13 g/mol
Exact Mass135.03
IUPAC Name2-(18F)fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one
SMILESO=C1Cc2c([18F])cccc21
InChIInChI=1S/C8H5FO/c9-7-3-1-2-5-6(7)4-8(5)10/h1-3H,4H2/i9-1
InChIKeyGQJWZZYEXMIGTJ-RVRFMXCPSA-N
XLogP1.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(18F)fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one?
The IUPAC name of 2-(18F)fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one (CID 175736121) is 2-(18F)fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one.
What is the SMILES notation for 2-(18F)fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one?
The canonical SMILES for 2-(18F)fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one is O=C1Cc2c([18F])cccc21.
What is the InChIKey of 2-(18F)fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one?
The InChIKey is GQJWZZYEXMIGTJ-RVRFMXCPSA-N. The full InChI is InChI=1S/C8H5FO/c9-7-3-1-2-5-6(7)4-8(5)10/h1-3H,4H2/i9-1.
What are the key properties of 2-(18F)fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one?
2-(18F)fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one has a molecular weight of 135.13 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 2-(18F)fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one is sourced from PubChem (CID 175736121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).