3-butoxy-6-[4-(3-fluoropropyl)cyclohexyl]pyridazine

C17H27FN2O — CID 18611482

IUPAC3-butoxy-6-[4-(3-fluoropropyl)cyclohexyl]pyridazine
SMILESCCCCOc1ccc(C2CCC(CCCF)CC2)nn1
InChIInChI=1S/C17H27FN2O/c1-2-3-13-21-17-11-10-16(19-20-17)15-8-6-14(7-9-15)5-4-12-18/h10-11,14-15H,2-9,12-13H2,1H3
InChIKeyBRFRIZAKEVECSC-UHFFFAOYSA-N
MW294.41 g/mol
LogP4.68
Rot. Bonds8

About 3-butoxy-6-[4-(3-fluoropropyl)cyclohexyl]pyridazine

3-butoxy-6-[4-(3-fluoropropyl)cyclohexyl]pyridazine (PubChem CID 18611482) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 3-butoxy-6-[4-(3-fluoropropyl)cyclohexyl]pyridazine.

Molecular Properties

Compound Name3-butoxy-6-[4-(3-fluoropropyl)cyclohexyl]pyridazine
PubChem CID18611482
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name3-butoxy-6-[4-(3-fluoropropyl)cyclohexyl]pyridazine
SMILESCCCCOc1ccc(C2CCC(CCCF)CC2)nn1
InChIInChI=1S/C17H27FN2O/c1-2-3-13-21-17-11-10-16(19-20-17)15-8-6-14(7-9-15)5-4-12-18/h10-11,14-15H,2-9,12-13H2,1H3
InChIKeyBRFRIZAKEVECSC-UHFFFAOYSA-N
XLogP4.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 54.68
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-butoxy-6-[4-(3-fluoropropyl)cyclohexyl]pyridazine?
The IUPAC name of 3-butoxy-6-[4-(3-fluoropropyl)cyclohexyl]pyridazine (CID 18611482) is 3-butoxy-6-[4-(3-fluoropropyl)cyclohexyl]pyridazine.
What is the SMILES notation for 3-butoxy-6-[4-(3-fluoropropyl)cyclohexyl]pyridazine?
The canonical SMILES for 3-butoxy-6-[4-(3-fluoropropyl)cyclohexyl]pyridazine is CCCCOc1ccc(C2CCC(CCCF)CC2)nn1.
What is the InChIKey of 3-butoxy-6-[4-(3-fluoropropyl)cyclohexyl]pyridazine?
The InChIKey is BRFRIZAKEVECSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-2-3-13-21-17-11-10-16(19-20-17)15-8-6-14(7-9-15)5-4-12-18/h10-11,14-15H,2-9,12-13H2,1H3.
What are the key properties of 3-butoxy-6-[4-(3-fluoropropyl)cyclohexyl]pyridazine?
3-butoxy-6-[4-(3-fluoropropyl)cyclohexyl]pyridazine has a molecular weight of 294.41 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-6-[4-(3-fluoropropyl)cyclohexyl]pyridazine is sourced from PubChem (CID 18611482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).