1-fluoro-1,2-dihydrophthalazine

C8H7FN2 — CID 151464024

IUPAC1-fluoro-1,2-dihydrophthalazine
SMILESFC1NN=Cc2ccccc21
InChIInChI=1S/C8H7FN2/c9-8-7-4-2-1-3-6(7)5-10-11-8/h1-5,8,11H
InChIKeyPJBOAJNRXBUTDJ-UHFFFAOYSA-N
MW150.16 g/mol
LogP1.59
Rot. Bonds

About 1-fluoro-1,2-dihydrophthalazine

1-fluoro-1,2-dihydrophthalazine (PubChem CID 151464024) has the molecular formula C8H7FN2 and a molecular weight of 150.16 g/mol. Its IUPAC name is 1-fluoro-1,2-dihydrophthalazine.

Molecular Properties

Compound Name1-fluoro-1,2-dihydrophthalazine
PubChem CID151464024
Molecular FormulaC8H7FN2
Molecular Weight150.16 g/mol
Exact Mass150.06
IUPAC Name1-fluoro-1,2-dihydrophthalazine
SMILESFC1NN=Cc2ccccc21
InChIInChI=1S/C8H7FN2/c9-8-7-4-2-1-3-6(7)5-10-11-8/h1-5,8,11H
InChIKeyPJBOAJNRXBUTDJ-UHFFFAOYSA-N
XLogP1.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-fluoro-1,2-dihydrophthalazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1,2-dihydrophthalazine?
The IUPAC name of 1-fluoro-1,2-dihydrophthalazine (CID 151464024) is 1-fluoro-1,2-dihydrophthalazine.
What is the SMILES notation for 1-fluoro-1,2-dihydrophthalazine?
The canonical SMILES for 1-fluoro-1,2-dihydrophthalazine is FC1NN=Cc2ccccc21.
What is the InChIKey of 1-fluoro-1,2-dihydrophthalazine?
The InChIKey is PJBOAJNRXBUTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2/c9-8-7-4-2-1-3-6(7)5-10-11-8/h1-5,8,11H.
What are the key properties of 1-fluoro-1,2-dihydrophthalazine?
1-fluoro-1,2-dihydrophthalazine has a molecular weight of 150.16 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1,2-dihydrophthalazine is sourced from PubChem (CID 151464024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).