3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexylphenyl)pyridazine

C26H37FN2 — CID 139779119

IUPAC3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexylphenyl)pyridazine
SMILESCCCCCCc1ccc(-c2ccc(CCC3CCC(CC)CC3)nn2)cc1F
InChIInChI=1S/C26H37FN2/c1-3-5-6-7-8-22-14-15-23(19-25(22)27)26-18-17-24(28-29-26)16-13-21-11-9-20(4-2)10-12-21/h14-15,17-21H,3-13,16H2,1-2H3
InChIKeyXEFGYRJOFHBTQA-UHFFFAOYSA-N
MW396.59 g/mol
LogP7.55
Rot. Bonds10

About 3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexylphenyl)pyridazine

3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexylphenyl)pyridazine (PubChem CID 139779119) has the molecular formula C26H37FN2 and a molecular weight of 396.59 g/mol. Its IUPAC name is 3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexylphenyl)pyridazine.

Molecular Properties

Compound Name3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexylphenyl)pyridazine
PubChem CID139779119
Molecular FormulaC26H37FN2
Molecular Weight396.59 g/mol
Exact Mass396.29
IUPAC Name3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexylphenyl)pyridazine
SMILESCCCCCCc1ccc(-c2ccc(CCC3CCC(CC)CC3)nn2)cc1F
InChIInChI=1S/C26H37FN2/c1-3-5-6-7-8-22-14-15-23(19-25(22)27)26-18-17-24(28-29-26)16-13-21-11-9-20(4-2)10-12-21/h14-15,17-21H,3-13,16H2,1-2H3
InChIKeyXEFGYRJOFHBTQA-UHFFFAOYSA-N
XLogP7.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.59
LogP ≤ 57.55
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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Related Compounds

3-[2-(4-butylcyclohexyl)ethyl]-6-(3-fluoro-4-pentylphenyl)pyridazine
CID 139778699
3-(3-fluoro-4-propylphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
CID 139779136
3-[3-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-heptylpyridazine
CID 139778666
3-[3-fluoro-4-[2-(4-hexylcyclohexyl)ethyl]phenyl]-6-propylpyridazine
CID 139778945
3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexoxyphenyl)pyridazine
CID 139778798
3-[3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-propylpyridazine
CID 67787578
3-[4-[2-(4-ethylcyclohexyl)ethyl]-3-fluorophenyl]-6-pentoxypyridazine
CID 67787145
3-[2-(4-ethylcyclohexyl)ethyl]-6-(4-heptoxyphenyl)pyridazine
CID 139778846
3-[2-(4-ethylcyclohexyl)ethyl]-6-(2-fluoro-4-heptylphenyl)pyridazine
CID 139778757
3-(3-fluoro-4-methylphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
CID 139778851
3-[4-[2-(4-ethylcyclohexyl)ethyl]-2-fluorophenyl]-6-hexylpyridazine
CID 139778797
3-[3-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-hexoxypyridazine
CID 139778571

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexylphenyl)pyridazine?
The IUPAC name of 3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexylphenyl)pyridazine (CID 139779119) is 3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexylphenyl)pyridazine.
What is the SMILES notation for 3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexylphenyl)pyridazine?
The canonical SMILES for 3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexylphenyl)pyridazine is CCCCCCc1ccc(-c2ccc(CCC3CCC(CC)CC3)nn2)cc1F.
What is the InChIKey of 3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexylphenyl)pyridazine?
The InChIKey is XEFGYRJOFHBTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37FN2/c1-3-5-6-7-8-22-14-15-23(19-25(22)27)26-18-17-24(28-29-26)16-13-21-11-9-20(4-2)10-12-21/h14-15,17-21H,3-13,16H2,1-2H3.
What are the key properties of 3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexylphenyl)pyridazine?
3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexylphenyl)pyridazine has a molecular weight of 396.59 g/mol, XLogP of 7.55, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexylphenyl)pyridazine is sourced from PubChem (CID 139779119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).