3-(difluoromethoxy)-6-(4-pentylphenyl)pyridazine

C16H18F2N2O — CID 6412190

IUPAC3-(difluoromethoxy)-6-(4-pentylphenyl)pyridazine
SMILESCCCCCc1ccc(-c2ccc(OC(F)F)nn2)cc1
InChIInChI=1S/C16H18F2N2O/c1-2-3-4-5-12-6-8-13(9-7-12)14-10-11-15(20-19-14)21-16(17)18/h6-11,16H,2-5H2,1H3
InChIKeyIBUGAHNQSQUYFE-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.48
Rot. Bonds7

About 3-(difluoromethoxy)-6-(4-pentylphenyl)pyridazine

3-(difluoromethoxy)-6-(4-pentylphenyl)pyridazine (PubChem CID 6412190) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-(difluoromethoxy)-6-(4-pentylphenyl)pyridazine.

Molecular Properties

Compound Name3-(difluoromethoxy)-6-(4-pentylphenyl)pyridazine
PubChem CID6412190
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-(difluoromethoxy)-6-(4-pentylphenyl)pyridazine
SMILESCCCCCc1ccc(-c2ccc(OC(F)F)nn2)cc1
InChIInChI=1S/C16H18F2N2O/c1-2-3-4-5-12-6-8-13(9-7-12)14-10-11-15(20-19-14)21-16(17)18/h6-11,16H,2-5H2,1H3
InChIKeyIBUGAHNQSQUYFE-UHFFFAOYSA-N
XLogP4.48
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-6-(4-pentylphenyl)pyridazine?
The IUPAC name of 3-(difluoromethoxy)-6-(4-pentylphenyl)pyridazine (CID 6412190) is 3-(difluoromethoxy)-6-(4-pentylphenyl)pyridazine.
What is the SMILES notation for 3-(difluoromethoxy)-6-(4-pentylphenyl)pyridazine?
The canonical SMILES for 3-(difluoromethoxy)-6-(4-pentylphenyl)pyridazine is CCCCCc1ccc(-c2ccc(OC(F)F)nn2)cc1.
What is the InChIKey of 3-(difluoromethoxy)-6-(4-pentylphenyl)pyridazine?
The InChIKey is IBUGAHNQSQUYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-2-3-4-5-12-6-8-13(9-7-12)14-10-11-15(20-19-14)21-16(17)18/h6-11,16H,2-5H2,1H3.
What are the key properties of 3-(difluoromethoxy)-6-(4-pentylphenyl)pyridazine?
3-(difluoromethoxy)-6-(4-pentylphenyl)pyridazine has a molecular weight of 292.33 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-6-(4-pentylphenyl)pyridazine is sourced from PubChem (CID 6412190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).