4-(4-fluorophenyl)-8aH-phthalazin-1-one

C14H9FN2O — CID 138059284

IUPAC4-(4-fluorophenyl)-8aH-phthalazin-1-one
SMILESO=C1N=NC(c2ccc(F)cc2)=C2C=CC=CC12
InChIInChI=1S/C14H9FN2O/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(18)17-16-13/h1-8,12H
InChIKeyXRPUWKRUXOHJGB-UHFFFAOYSA-N
MW240.24 g/mol
LogP3.27
Rot. Bonds1

About 4-(4-fluorophenyl)-8aH-phthalazin-1-one

4-(4-fluorophenyl)-8aH-phthalazin-1-one (PubChem CID 138059284) has the molecular formula C14H9FN2O and a molecular weight of 240.24 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8aH-phthalazin-1-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-8aH-phthalazin-1-one
PubChem CID138059284
Molecular FormulaC14H9FN2O
Molecular Weight240.24 g/mol
Exact Mass240.07
IUPAC Name4-(4-fluorophenyl)-8aH-phthalazin-1-one
SMILESO=C1N=NC(c2ccc(F)cc2)=C2C=CC=CC12
InChIInChI=1S/C14H9FN2O/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(18)17-16-13/h1-8,12H
InChIKeyXRPUWKRUXOHJGB-UHFFFAOYSA-N
XLogP3.27
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-8aH-phthalazin-1-one?
The IUPAC name of 4-(4-fluorophenyl)-8aH-phthalazin-1-one (CID 138059284) is 4-(4-fluorophenyl)-8aH-phthalazin-1-one.
What is the SMILES notation for 4-(4-fluorophenyl)-8aH-phthalazin-1-one?
The canonical SMILES for 4-(4-fluorophenyl)-8aH-phthalazin-1-one is O=C1N=NC(c2ccc(F)cc2)=C2C=CC=CC12.
What is the InChIKey of 4-(4-fluorophenyl)-8aH-phthalazin-1-one?
The InChIKey is XRPUWKRUXOHJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(18)17-16-13/h1-8,12H.
What are the key properties of 4-(4-fluorophenyl)-8aH-phthalazin-1-one?
4-(4-fluorophenyl)-8aH-phthalazin-1-one has a molecular weight of 240.24 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-8aH-phthalazin-1-one is sourced from PubChem (CID 138059284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).