3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methylpyridazine

C20H24F2N2 — CID 139778526

IUPAC3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methylpyridazine
SMILESCc1ccc(-c2ccc(CCC3CCC(C)CC3)c(F)c2F)nn1
InChIInChI=1S/C20H24F2N2/c1-13-3-6-15(7-4-13)8-9-16-10-11-17(20(22)19(16)21)18-12-5-14(2)23-24-18/h5,10-13,15H,3-4,6-9H2,1-2H3
InChIKeyOSIXKPCUXHIYQZ-UHFFFAOYSA-N
MW330.42 g/mol
LogP5.49
Rot. Bonds4

About 3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methylpyridazine

3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methylpyridazine (PubChem CID 139778526) has the molecular formula C20H24F2N2 and a molecular weight of 330.42 g/mol. Its IUPAC name is 3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methylpyridazine.

Molecular Properties

Compound Name3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methylpyridazine
PubChem CID139778526
Molecular FormulaC20H24F2N2
Molecular Weight330.42 g/mol
Exact Mass330.19
IUPAC Name3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methylpyridazine
SMILESCc1ccc(-c2ccc(CCC3CCC(C)CC3)c(F)c2F)nn1
InChIInChI=1S/C20H24F2N2/c1-13-3-6-15(7-4-13)8-9-16-10-11-17(20(22)19(16)21)18-12-5-14(2)23-24-18/h5,10-13,15H,3-4,6-9H2,1-2H3
InChIKeyOSIXKPCUXHIYQZ-UHFFFAOYSA-N
XLogP5.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.42
LogP ≤ 55.49
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-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-ethylpyridazine
CID 139778955
2,3-difluoro-1-[2-(4-methylcyclohexyl)ethyl]-4-(4-methylphenyl)benzene
CID 20683285
3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-hexylpyridazine
CID 139778733
3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methoxypyridazine
CID 139779129
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-[2,3-difluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-pentoxypyridazine
CID 139778516
3-(4-butoxy-2,3-difluorophenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139778925
3-(2,3-difluoro-4-methylphenyl)-6-[2-(4-ethylcyclohexyl)ethyl]pyridazine
CID 139778923
3-(2,3-difluoro-4-methylphenyl)-6-methylpyridazine
CID 20663232
1-(4-ethylphenyl)-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 67895695

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methylpyridazine?
The IUPAC name of 3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methylpyridazine (CID 139778526) is 3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methylpyridazine.
What is the SMILES notation for 3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methylpyridazine?
The canonical SMILES for 3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methylpyridazine is Cc1ccc(-c2ccc(CCC3CCC(C)CC3)c(F)c2F)nn1.
What is the InChIKey of 3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methylpyridazine?
The InChIKey is OSIXKPCUXHIYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2/c1-13-3-6-15(7-4-13)8-9-16-10-11-17(20(22)19(16)21)18-12-5-14(2)23-24-18/h5,10-13,15H,3-4,6-9H2,1-2H3.
What are the key properties of 3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methylpyridazine?
3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methylpyridazine has a molecular weight of 330.42 g/mol, XLogP of 5.49, 4 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-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methylpyridazine is sourced from PubChem (CID 139778526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).