3-(3,4-difluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine

C12H12F2N2 — CID 118668785

IUPAC3-(3,4-difluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine
SMILESC=C1CC(C)C(c2ccc(F)c(F)c2)=NN1
InChIInChI=1S/C12H12F2N2/c1-7-5-8(2)15-16-12(7)9-3-4-10(13)11(14)6-9/h3-4,6-7,15H,2,5H2,1H3
InChIKeyJHINVAJRNOVTIB-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.81
Rot. Bonds1

About 3-(3,4-difluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine

3-(3,4-difluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine (PubChem CID 118668785) has the molecular formula C12H12F2N2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine
PubChem CID118668785
Molecular FormulaC12H12F2N2
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-(3,4-difluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine
SMILESC=C1CC(C)C(c2ccc(F)c(F)c2)=NN1
InChIInChI=1S/C12H12F2N2/c1-7-5-8(2)15-16-12(7)9-3-4-10(13)11(14)6-9/h3-4,6-7,15H,2,5H2,1H3
InChIKeyJHINVAJRNOVTIB-UHFFFAOYSA-N
XLogP2.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine?
The IUPAC name of 3-(3,4-difluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine (CID 118668785) is 3-(3,4-difluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine?
The canonical SMILES for 3-(3,4-difluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine is C=C1CC(C)C(c2ccc(F)c(F)c2)=NN1.
What is the InChIKey of 3-(3,4-difluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine?
The InChIKey is JHINVAJRNOVTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2/c1-7-5-8(2)15-16-12(7)9-3-4-10(13)11(14)6-9/h3-4,6-7,15H,2,5H2,1H3.
What are the key properties of 3-(3,4-difluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine?
3-(3,4-difluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine has a molecular weight of 222.24 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine is sourced from PubChem (CID 118668785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).