8-fluoro-4-methyl-1,2-dihydrophthalazine

C9H9FN2 — CID 174243508

IUPAC8-fluoro-4-methyl-1,2-dihydrophthalazine
SMILESCC1=NNCc2c(F)cccc21
InChIInChI=1S/C9H9FN2/c1-6-7-3-2-4-9(10)8(7)5-11-12-6/h2-4,11H,5H2,1H3
InChIKeyZWCBMEQKYRFZDG-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.65
Rot. Bonds

About 8-fluoro-4-methyl-1,2-dihydrophthalazine

8-fluoro-4-methyl-1,2-dihydrophthalazine (PubChem CID 174243508) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 8-fluoro-4-methyl-1,2-dihydrophthalazine.

Molecular Properties

Compound Name8-fluoro-4-methyl-1,2-dihydrophthalazine
PubChem CID174243508
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name8-fluoro-4-methyl-1,2-dihydrophthalazine
SMILESCC1=NNCc2c(F)cccc21
InChIInChI=1S/C9H9FN2/c1-6-7-3-2-4-9(10)8(7)5-11-12-6/h2-4,11H,5H2,1H3
InChIKeyZWCBMEQKYRFZDG-UHFFFAOYSA-N
XLogP1.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Fluorophenyl)phthalazine-1-thiol
CID 2362835
3,3-dimethyl-N-(propan-2-ylideneamino)-4H-isoquinolin-1-amine
CID 761509
3,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 3683844
1,2-Dihydrophthalazine
CID 9877373
3-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole
CID 45268669
1H-Pyrazole, 4,5-dihydro-3-methyl-5-phenyl-
CID 10130101
1-(1,2-Diphenylethylidene)-2-((perfluorophenyl)methyl)hydrazine
CID 137796855
(6R)-3,6-bis(3-fluorophenyl)-1,4,5,6-tetrahydropyridazine
CID 139167712
4-Methylphthalazine-1-thiol
CID 1279882
1-phenyl-N-[(E)-1-phenylethylideneamino]methanamine
CID 14685415
1-Methyl-1,2-dihydrophthalazine
CID 21814494
1-Phenyl-1,2-dihydro-phthalazine
CID 21814495

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-methyl-1,2-dihydrophthalazine?
The IUPAC name of 8-fluoro-4-methyl-1,2-dihydrophthalazine (CID 174243508) is 8-fluoro-4-methyl-1,2-dihydrophthalazine.
What is the SMILES notation for 8-fluoro-4-methyl-1,2-dihydrophthalazine?
The canonical SMILES for 8-fluoro-4-methyl-1,2-dihydrophthalazine is CC1=NNCc2c(F)cccc21.
What is the InChIKey of 8-fluoro-4-methyl-1,2-dihydrophthalazine?
The InChIKey is ZWCBMEQKYRFZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c1-6-7-3-2-4-9(10)8(7)5-11-12-6/h2-4,11H,5H2,1H3.
What are the key properties of 8-fluoro-4-methyl-1,2-dihydrophthalazine?
8-fluoro-4-methyl-1,2-dihydrophthalazine has a molecular weight of 164.18 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-methyl-1,2-dihydrophthalazine is sourced from PubChem (CID 174243508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).