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

C8H5FO — CID 10975535

IUPAC4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one
SMILESO=C1Cc2ccc(F)cc21
InChIInChI=1S/C8H5FO/c9-6-2-1-5-3-8(10)7(5)4-6/h1-2,4H,3H2
InChIKeyPILRCBSBYLVNMJ-UHFFFAOYSA-N
MW136.12 g/mol
LogP1.56
Rot. Bonds

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

4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one (PubChem CID 10975535) has the molecular formula C8H5FO and a molecular weight of 136.12 g/mol. Its IUPAC name is 4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one.

Molecular Properties

Compound Name4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one
PubChem CID10975535
Molecular FormulaC8H5FO
Molecular Weight136.12 g/mol
Exact Mass136.03
IUPAC Name4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one
SMILESO=C1Cc2ccc(F)cc21
InChIInChI=1S/C8H5FO/c9-6-2-1-5-3-8(10)7(5)4-6/h1-2,4H,3H2
InChIKeyPILRCBSBYLVNMJ-UHFFFAOYSA-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 ≤ 500136.12
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one?
The IUPAC name of 4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one (CID 10975535) is 4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one.
What is the SMILES notation for 4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one?
The canonical SMILES for 4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one is O=C1Cc2ccc(F)cc21.
What is the InChIKey of 4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one?
The InChIKey is PILRCBSBYLVNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FO/c9-6-2-1-5-3-8(10)7(5)4-6/h1-2,4H,3H2.
What are the key properties of 4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one?
4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one has a molecular weight of 136.12 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 4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one is sourced from PubChem (CID 10975535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).