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

C12H13FN2 — CID 118668764

IUPAC3-(4-fluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine
SMILESC=C1CC(C)C(c2ccc(F)cc2)=NN1
InChIInChI=1S/C12H13FN2/c1-8-7-9(2)14-15-12(8)10-3-5-11(13)6-4-10/h3-6,8,14H,2,7H2,1H3
InChIKeyVUHQBXDTBNUNDH-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.67
Rot. Bonds1

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

3-(4-fluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine (PubChem CID 118668764) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine
PubChem CID118668764
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name3-(4-fluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine
SMILESC=C1CC(C)C(c2ccc(F)cc2)=NN1
InChIInChI=1S/C12H13FN2/c1-8-7-9(2)14-15-12(8)10-3-5-11(13)6-4-10/h3-6,8,14H,2,7H2,1H3
InChIKeyVUHQBXDTBNUNDH-UHFFFAOYSA-N
XLogP2.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine?
The IUPAC name of 3-(4-fluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine (CID 118668764) is 3-(4-fluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine.
What is the SMILES notation for 3-(4-fluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine?
The canonical SMILES for 3-(4-fluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine is C=C1CC(C)C(c2ccc(F)cc2)=NN1.
What is the InChIKey of 3-(4-fluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine?
The InChIKey is VUHQBXDTBNUNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-8-7-9(2)14-15-12(8)10-3-5-11(13)6-4-10/h3-6,8,14H,2,7H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine?
3-(4-fluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine has a molecular weight of 204.25 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine is sourced from PubChem (CID 118668764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).