3-(3-fluoro-4-propylphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine

C28H41FN2 — CID 139779136

IUPAC3-(3-fluoro-4-propylphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
SMILESCCCCCCCC1CCC(CCc2ccc(-c3ccc(CCC)c(F)c3)nn2)CC1
InChIInChI=1S/C28H41FN2/c1-3-5-6-7-8-10-22-11-13-23(14-12-22)15-18-26-19-20-28(31-30-26)25-17-16-24(9-4-2)27(29)21-25/h16-17,19-23H,3-15,18H2,1-2H3
InChIKeyFYNOYUXMRMAZMG-UHFFFAOYSA-N
MW424.65 g/mol
LogP8.33
Rot. Bonds12

About 3-(3-fluoro-4-propylphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine

3-(3-fluoro-4-propylphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine (PubChem CID 139779136) has the molecular formula C28H41FN2 and a molecular weight of 424.65 g/mol. Its IUPAC name is 3-(3-fluoro-4-propylphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine.

Molecular Properties

Compound Name3-(3-fluoro-4-propylphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
PubChem CID139779136
Molecular FormulaC28H41FN2
Molecular Weight424.65 g/mol
Exact Mass424.33
IUPAC Name3-(3-fluoro-4-propylphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
SMILESCCCCCCCC1CCC(CCc2ccc(-c3ccc(CCC)c(F)c3)nn2)CC1
InChIInChI=1S/C28H41FN2/c1-3-5-6-7-8-10-22-11-13-23(14-12-22)15-18-26-19-20-28(31-30-26)25-17-16-24(9-4-2)27(29)21-25/h16-17,19-23H,3-15,18H2,1-2H3
InChIKeyFYNOYUXMRMAZMG-UHFFFAOYSA-N
XLogP8.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.65
LogP ≤ 58.33
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-[3-fluoro-4-[2-(4-hexylcyclohexyl)ethyl]phenyl]-6-propylpyridazine
CID 139778945
3-[3-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-heptylpyridazine
CID 139778666
3-[2-(4-butylcyclohexyl)ethyl]-6-(3-fluoro-4-pentylphenyl)pyridazine
CID 139778699
3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexylphenyl)pyridazine
CID 139779119
3-[3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-propylpyridazine
CID 67787578
3-[2-(4-heptylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine
CID 139778999
3-[3-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-hexoxypyridazine
CID 139778571
3-[2-(4-pentylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine
CID 139778915
3-[2-(4-hexylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine
CID 139778801
3-[4-[2-(4-butylcyclohexyl)ethyl]-3-fluorophenyl]-6-heptoxypyridazine
CID 139778675
3-[2-(4-butylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine
CID 139778747
3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine
CID 139778532

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-propylphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine?
The IUPAC name of 3-(3-fluoro-4-propylphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine (CID 139779136) is 3-(3-fluoro-4-propylphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine.
What is the SMILES notation for 3-(3-fluoro-4-propylphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine?
The canonical SMILES for 3-(3-fluoro-4-propylphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine is CCCCCCCC1CCC(CCc2ccc(-c3ccc(CCC)c(F)c3)nn2)CC1.
What is the InChIKey of 3-(3-fluoro-4-propylphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine?
The InChIKey is FYNOYUXMRMAZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41FN2/c1-3-5-6-7-8-10-22-11-13-23(14-12-22)15-18-26-19-20-28(31-30-26)25-17-16-24(9-4-2)27(29)21-25/h16-17,19-23H,3-15,18H2,1-2H3.
What are the key properties of 3-(3-fluoro-4-propylphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine?
3-(3-fluoro-4-propylphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine has a molecular weight of 424.65 g/mol, XLogP of 8.33, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-propylphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine is sourced from PubChem (CID 139779136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).