3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-pentylpyridazine

C20H33FN2 — CID 18605327

IUPAC3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-pentylpyridazine
SMILESCCCCCc1ccc(CC(F)C2CCC(CCC)CC2)nn1
InChIInChI=1S/C20H33FN2/c1-3-5-6-8-18-13-14-19(23-22-18)15-20(21)17-11-9-16(7-4-2)10-12-17/h13-14,16-17,20H,3-12,15H2,1-2H3
InChIKeyBFOOMOLVWRRFNJ-UHFFFAOYSA-N
MW320.50 g/mol
LogP5.70
Rot. Bonds9

About 3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-pentylpyridazine

3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-pentylpyridazine (PubChem CID 18605327) has the molecular formula C20H33FN2 and a molecular weight of 320.50 g/mol. Its IUPAC name is 3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-pentylpyridazine.

Molecular Properties

Compound Name3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-pentylpyridazine
PubChem CID18605327
Molecular FormulaC20H33FN2
Molecular Weight320.50 g/mol
Exact Mass320.26
IUPAC Name3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-pentylpyridazine
SMILESCCCCCc1ccc(CC(F)C2CCC(CCC)CC2)nn1
InChIInChI=1S/C20H33FN2/c1-3-5-6-8-18-13-14-19(23-22-18)15-20(21)17-11-9-16(7-4-2)10-12-17/h13-14,16-17,20H,3-12,15H2,1-2H3
InChIKeyBFOOMOLVWRRFNJ-UHFFFAOYSA-N
XLogP5.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.50
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-pentylpyridazine?
The IUPAC name of 3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-pentylpyridazine (CID 18605327) is 3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-pentylpyridazine.
What is the SMILES notation for 3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-pentylpyridazine?
The canonical SMILES for 3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-pentylpyridazine is CCCCCc1ccc(CC(F)C2CCC(CCC)CC2)nn1.
What is the InChIKey of 3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-pentylpyridazine?
The InChIKey is BFOOMOLVWRRFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33FN2/c1-3-5-6-8-18-13-14-19(23-22-18)15-20(21)17-11-9-16(7-4-2)10-12-17/h13-14,16-17,20H,3-12,15H2,1-2H3.
What are the key properties of 3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-pentylpyridazine?
3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-pentylpyridazine has a molecular weight of 320.50 g/mol, XLogP of 5.70, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-pentylpyridazine is sourced from PubChem (CID 18605327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).