3-(4-butoxy-2,3-difluorophenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine

C23H30F2N2O — CID 139778925

IUPAC3-(4-butoxy-2,3-difluorophenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
SMILESCCCCOc1ccc(-c2ccc(CCC3CCC(C)CC3)nn2)c(F)c1F
InChIInChI=1S/C23H30F2N2O/c1-3-4-15-28-21-14-12-19(22(24)23(21)25)20-13-11-18(26-27-20)10-9-17-7-5-16(2)6-8-17/h11-14,16-17H,3-10,15H2,1-2H3
InChIKeyWQMUOJYMLRERBS-UHFFFAOYSA-N
MW388.50 g/mol
LogP6.36
Rot. Bonds8

About 3-(4-butoxy-2,3-difluorophenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine

3-(4-butoxy-2,3-difluorophenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine (PubChem CID 139778925) has the molecular formula C23H30F2N2O and a molecular weight of 388.50 g/mol. Its IUPAC name is 3-(4-butoxy-2,3-difluorophenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine.

Molecular Properties

Compound Name3-(4-butoxy-2,3-difluorophenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
PubChem CID139778925
Molecular FormulaC23H30F2N2O
Molecular Weight388.50 g/mol
Exact Mass388.23
IUPAC Name3-(4-butoxy-2,3-difluorophenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
SMILESCCCCOc1ccc(-c2ccc(CCC3CCC(C)CC3)nn2)c(F)c1F
InChIInChI=1S/C23H30F2N2O/c1-3-4-15-28-21-14-12-19(22(24)23(21)25)20-13-11-18(26-27-20)10-9-17-7-5-16(2)6-8-17/h11-14,16-17H,3-10,15H2,1-2H3
InChIKeyWQMUOJYMLRERBS-UHFFFAOYSA-N
XLogP6.36
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.50
LogP ≤ 56.36
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-(2,3-difluoro-4-methoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
CID 139778694
3-(3-fluoro-4-propoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139779042
3-(4-butoxy-2-fluorophenyl)-6-[2-(4-pentylcyclohexyl)ethyl]pyridazine
CID 139779121
3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-ethylpyridazine
CID 139778955
1-decoxy-2,3-difluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene
CID 118374115
3-(2-fluoro-4-pentoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
CID 139778897
3-(2,3-difluoro-4-methylphenyl)-6-[2-(4-ethylcyclohexyl)ethyl]pyridazine
CID 139778923
3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-hexylpyridazine
CID 139778733
3-butyl-6-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyridazine
CID 139779122
3-(4-heptoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139778646
3-[2,3-difluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-pentylpyridazine
CID 139778778

Frequently Asked Questions

What is the IUPAC name of 3-(4-butoxy-2,3-difluorophenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine?
The IUPAC name of 3-(4-butoxy-2,3-difluorophenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine (CID 139778925) is 3-(4-butoxy-2,3-difluorophenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine.
What is the SMILES notation for 3-(4-butoxy-2,3-difluorophenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine?
The canonical SMILES for 3-(4-butoxy-2,3-difluorophenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine is CCCCOc1ccc(-c2ccc(CCC3CCC(C)CC3)nn2)c(F)c1F.
What is the InChIKey of 3-(4-butoxy-2,3-difluorophenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine?
The InChIKey is WQMUOJYMLRERBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N2O/c1-3-4-15-28-21-14-12-19(22(24)23(21)25)20-13-11-18(26-27-20)10-9-17-7-5-16(2)6-8-17/h11-14,16-17H,3-10,15H2,1-2H3.
What are the key properties of 3-(4-butoxy-2,3-difluorophenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine?
3-(4-butoxy-2,3-difluorophenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine has a molecular weight of 388.50 g/mol, XLogP of 6.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxy-2,3-difluorophenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine is sourced from PubChem (CID 139778925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).