3-(2-fluorobenzoyl)-2H-phthalazine-1,4-dione

C15H9FN2O3 — CID 15709215

IUPAC3-(2-fluorobenzoyl)-2H-phthalazine-1,4-dione
SMILESO=C(c1ccccc1F)n1[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C15H9FN2O3/c16-12-8-4-3-7-11(12)15(21)18-14(20)10-6-2-1-5-9(10)13(19)17-18/h1-8H,(H,17,19)
InChIKeyBQNJURHTAMTHFZ-UHFFFAOYSA-N
MW284.25 g/mol
LogP1.52
Rot. Bonds1

About 3-(2-fluorobenzoyl)-2H-phthalazine-1,4-dione

3-(2-fluorobenzoyl)-2H-phthalazine-1,4-dione (PubChem CID 15709215) has the molecular formula C15H9FN2O3 and a molecular weight of 284.25 g/mol. Its IUPAC name is 3-(2-fluorobenzoyl)-2H-phthalazine-1,4-dione.

Molecular Properties

Compound Name3-(2-fluorobenzoyl)-2H-phthalazine-1,4-dione
PubChem CID15709215
Molecular FormulaC15H9FN2O3
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC Name3-(2-fluorobenzoyl)-2H-phthalazine-1,4-dione
SMILESO=C(c1ccccc1F)n1[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C15H9FN2O3/c16-12-8-4-3-7-11(12)15(21)18-14(20)10-6-2-1-5-9(10)13(19)17-18/h1-8H,(H,17,19)
InChIKeyBQNJURHTAMTHFZ-UHFFFAOYSA-N
XLogP1.52
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorobenzoyl)-2H-phthalazine-1,4-dione?
The IUPAC name of 3-(2-fluorobenzoyl)-2H-phthalazine-1,4-dione (CID 15709215) is 3-(2-fluorobenzoyl)-2H-phthalazine-1,4-dione.
What is the SMILES notation for 3-(2-fluorobenzoyl)-2H-phthalazine-1,4-dione?
The canonical SMILES for 3-(2-fluorobenzoyl)-2H-phthalazine-1,4-dione is O=C(c1ccccc1F)n1[nH]c(=O)c2ccccc2c1=O.
What is the InChIKey of 3-(2-fluorobenzoyl)-2H-phthalazine-1,4-dione?
The InChIKey is BQNJURHTAMTHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O3/c16-12-8-4-3-7-11(12)15(21)18-14(20)10-6-2-1-5-9(10)13(19)17-18/h1-8H,(H,17,19).
What are the key properties of 3-(2-fluorobenzoyl)-2H-phthalazine-1,4-dione?
3-(2-fluorobenzoyl)-2H-phthalazine-1,4-dione has a molecular weight of 284.25 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorobenzoyl)-2H-phthalazine-1,4-dione is sourced from PubChem (CID 15709215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).