3-(2,3-difluoro-4-methylphenyl)-6-[2-(4-ethylcyclohexyl)ethyl]pyridazine

C21H26F2N2 — CID 139778923

IUPAC3-(2,3-difluoro-4-methylphenyl)-6-[2-(4-ethylcyclohexyl)ethyl]pyridazine
SMILESCCC1CCC(CCc2ccc(-c3ccc(C)c(F)c3F)nn2)CC1
InChIInChI=1S/C21H26F2N2/c1-3-15-5-7-16(8-6-15)9-10-17-11-13-19(25-24-17)18-12-4-14(2)20(22)21(18)23/h4,11-13,15-16H,3,5-10H2,1-2H3
InChIKeyFSCYTRDHKBALFF-UHFFFAOYSA-N
MW344.45 g/mol
LogP5.88
Rot. Bonds5

About 3-(2,3-difluoro-4-methylphenyl)-6-[2-(4-ethylcyclohexyl)ethyl]pyridazine

3-(2,3-difluoro-4-methylphenyl)-6-[2-(4-ethylcyclohexyl)ethyl]pyridazine (PubChem CID 139778923) has the molecular formula C21H26F2N2 and a molecular weight of 344.45 g/mol. Its IUPAC name is 3-(2,3-difluoro-4-methylphenyl)-6-[2-(4-ethylcyclohexyl)ethyl]pyridazine.

Molecular Properties

Compound Name3-(2,3-difluoro-4-methylphenyl)-6-[2-(4-ethylcyclohexyl)ethyl]pyridazine
PubChem CID139778923
Molecular FormulaC21H26F2N2
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name3-(2,3-difluoro-4-methylphenyl)-6-[2-(4-ethylcyclohexyl)ethyl]pyridazine
SMILESCCC1CCC(CCc2ccc(-c3ccc(C)c(F)c3F)nn2)CC1
InChIInChI=1S/C21H26F2N2/c1-3-15-5-7-16(8-6-15)9-10-17-11-13-19(25-24-17)18-12-4-14(2)20(22)21(18)23/h4,11-13,15-16H,3,5-10H2,1-2H3
InChIKeyFSCYTRDHKBALFF-UHFFFAOYSA-N
XLogP5.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methylpyridazine
CID 139779038
3-[2-(4-ethylcyclohexyl)ethyl]-6-(2-fluoro-4-heptylphenyl)pyridazine
CID 139778757
3-(4-butoxy-2,3-difluorophenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139778925
3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-hexylpyridazine
CID 139778733
3-[2,3-difluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-pentylpyridazine
CID 139778778
3-(2,3-difluoro-4-methoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
CID 139778694
3-(2,3-difluoro-4-heptoxyphenyl)-6-[2-(4-hexylcyclohexyl)ethyl]pyridazine
CID 139778706
3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-ethylpyridazine
CID 139778955
3-[4-[2-(4-ethylcyclohexyl)ethyl]-2-fluorophenyl]-6-hexylpyridazine
CID 139778797
3-[2,3-difluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-propylpyridazine
CID 139779130
3-(3-fluoro-4-methylphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
CID 139778851
3-(2-fluoro-4-propoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
CID 139778926

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-4-methylphenyl)-6-[2-(4-ethylcyclohexyl)ethyl]pyridazine?
The IUPAC name of 3-(2,3-difluoro-4-methylphenyl)-6-[2-(4-ethylcyclohexyl)ethyl]pyridazine (CID 139778923) is 3-(2,3-difluoro-4-methylphenyl)-6-[2-(4-ethylcyclohexyl)ethyl]pyridazine.
What is the SMILES notation for 3-(2,3-difluoro-4-methylphenyl)-6-[2-(4-ethylcyclohexyl)ethyl]pyridazine?
The canonical SMILES for 3-(2,3-difluoro-4-methylphenyl)-6-[2-(4-ethylcyclohexyl)ethyl]pyridazine is CCC1CCC(CCc2ccc(-c3ccc(C)c(F)c3F)nn2)CC1.
What is the InChIKey of 3-(2,3-difluoro-4-methylphenyl)-6-[2-(4-ethylcyclohexyl)ethyl]pyridazine?
The InChIKey is FSCYTRDHKBALFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2/c1-3-15-5-7-16(8-6-15)9-10-17-11-13-19(25-24-17)18-12-4-14(2)20(22)21(18)23/h4,11-13,15-16H,3,5-10H2,1-2H3.
What are the key properties of 3-(2,3-difluoro-4-methylphenyl)-6-[2-(4-ethylcyclohexyl)ethyl]pyridazine?
3-(2,3-difluoro-4-methylphenyl)-6-[2-(4-ethylcyclohexyl)ethyl]pyridazine has a molecular weight of 344.45 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-4-methylphenyl)-6-[2-(4-ethylcyclohexyl)ethyl]pyridazine is sourced from PubChem (CID 139778923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).