3-(2,3-difluoro-4-methoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine

C26H36F2N2O — CID 139778694

IUPAC3-(2,3-difluoro-4-methoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
SMILESCCCCCCCC1CCC(CCc2ccc(-c3ccc(OC)c(F)c3F)nn2)CC1
InChIInChI=1S/C26H36F2N2O/c1-3-4-5-6-7-8-19-9-11-20(12-10-19)13-14-21-15-17-23(30-29-21)22-16-18-24(31-2)26(28)25(22)27/h15-20H,3-14H2,1-2H3
InChIKeyCPORTDDRZCVRKO-UHFFFAOYSA-N
MW430.58 g/mol
LogP7.53
Rot. Bonds11

About 3-(2,3-difluoro-4-methoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine

3-(2,3-difluoro-4-methoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine (PubChem CID 139778694) has the molecular formula C26H36F2N2O and a molecular weight of 430.58 g/mol. Its IUPAC name is 3-(2,3-difluoro-4-methoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine.

Molecular Properties

Compound Name3-(2,3-difluoro-4-methoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
PubChem CID139778694
Molecular FormulaC26H36F2N2O
Molecular Weight430.58 g/mol
Exact Mass430.28
IUPAC Name3-(2,3-difluoro-4-methoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
SMILESCCCCCCCC1CCC(CCc2ccc(-c3ccc(OC)c(F)c3F)nn2)CC1
InChIInChI=1S/C26H36F2N2O/c1-3-4-5-6-7-8-19-9-11-20(12-10-19)13-14-21-15-17-23(30-29-21)22-16-18-24(31-2)26(28)25(22)27/h15-20H,3-14H2,1-2H3
InChIKeyCPORTDDRZCVRKO-UHFFFAOYSA-N
XLogP7.53
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.58
LogP ≤ 57.53
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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Related Compounds

3-(2,3-difluoro-4-heptoxyphenyl)-6-[2-(4-hexylcyclohexyl)ethyl]pyridazine
CID 139778706
3-(4-butoxy-2,3-difluorophenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139778925
3-[2,3-difluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-pentylpyridazine
CID 139778778
3-[2,3-difluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-propylpyridazine
CID 139779130
3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-hexylpyridazine
CID 139778733
3-(2-fluoro-4-pentoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
CID 139778897
3-(4-butoxy-2-fluorophenyl)-6-[2-(4-pentylcyclohexyl)ethyl]pyridazine
CID 139779121
3-(4-ethyl-2-fluorophenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
CID 139778517
3-(4-ethyl-2-fluorophenyl)-6-[2-(4-hexylcyclohexyl)ethyl]pyridazine
CID 139778979
3-[2-fluoro-4-[2-(4-pentylcyclohexyl)ethyl]phenyl]-6-pentylpyridazine
CID 67787858
3-[2-(4-hexylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine
CID 139778801
3-(2,3-difluoro-4-methylphenyl)-6-[2-(4-ethylcyclohexyl)ethyl]pyridazine
CID 139778923

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-4-methoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine?
The IUPAC name of 3-(2,3-difluoro-4-methoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine (CID 139778694) is 3-(2,3-difluoro-4-methoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine.
What is the SMILES notation for 3-(2,3-difluoro-4-methoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine?
The canonical SMILES for 3-(2,3-difluoro-4-methoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine is CCCCCCCC1CCC(CCc2ccc(-c3ccc(OC)c(F)c3F)nn2)CC1.
What is the InChIKey of 3-(2,3-difluoro-4-methoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine?
The InChIKey is CPORTDDRZCVRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36F2N2O/c1-3-4-5-6-7-8-19-9-11-20(12-10-19)13-14-21-15-17-23(30-29-21)22-16-18-24(31-2)26(28)25(22)27/h15-20H,3-14H2,1-2H3.
What are the key properties of 3-(2,3-difluoro-4-methoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine?
3-(2,3-difluoro-4-methoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine has a molecular weight of 430.58 g/mol, XLogP of 7.53, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-4-methoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine is sourced from PubChem (CID 139778694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).