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

C21H26F2N2 — CID 139778955

IUPAC3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-ethylpyridazine
SMILESCCc1ccc(-c2ccc(CCC3CCC(C)CC3)c(F)c2F)nn1
InChIInChI=1S/C21H26F2N2/c1-3-17-11-13-19(25-24-17)18-12-10-16(20(22)21(18)23)9-8-15-6-4-14(2)5-7-15/h10-15H,3-9H2,1-2H3
InChIKeyPPIMYNNYAMVDTF-UHFFFAOYSA-N
MW344.45 g/mol
LogP5.74
Rot. Bonds5

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

3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-ethylpyridazine (PubChem CID 139778955) has the molecular formula C21H26F2N2 and a molecular weight of 344.45 g/mol. Its IUPAC name is 3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-ethylpyridazine.

Molecular Properties

Compound Name3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-ethylpyridazine
PubChem CID139778955
Molecular FormulaC21H26F2N2
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-ethylpyridazine
SMILESCCc1ccc(-c2ccc(CCC3CCC(C)CC3)c(F)c2F)nn1
InChIInChI=1S/C21H26F2N2/c1-3-17-11-13-19(25-24-17)18-12-10-16(20(22)21(18)23)9-8-15-6-4-14(2)5-7-15/h10-15H,3-9H2,1-2H3
InChIKeyPPIMYNNYAMVDTF-UHFFFAOYSA-N
XLogP5.74
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 ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methylpyridazine
CID 139778526
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-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-propylpyridazine
CID 139779130
3-[4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methylpyridazine
CID 139779038
3-(4-butoxy-2,3-difluorophenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139778925
3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methoxypyridazine
CID 139779129
3-[2,3-difluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-pentoxypyridazine
CID 139778516
3-(2,3-difluoro-4-methylphenyl)-6-[2-(4-ethylcyclohexyl)ethyl]pyridazine
CID 139778923
2,3-difluoro-1-[2-(4-methylcyclohexyl)ethyl]-4-(4-methylphenyl)benzene
CID 20683285
3-butyl-6-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyridazine
CID 139779122
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-ethylpyridazine?
The IUPAC name of 3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-ethylpyridazine (CID 139778955) is 3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-ethylpyridazine.
What is the SMILES notation for 3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-ethylpyridazine?
The canonical SMILES for 3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-ethylpyridazine is CCc1ccc(-c2ccc(CCC3CCC(C)CC3)c(F)c2F)nn1.
What is the InChIKey of 3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-ethylpyridazine?
The InChIKey is PPIMYNNYAMVDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2/c1-3-17-11-13-19(25-24-17)18-12-10-16(20(22)21(18)23)9-8-15-6-4-14(2)5-7-15/h10-15H,3-9H2,1-2H3.
What are the key properties of 3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-ethylpyridazine?
3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-ethylpyridazine has a molecular weight of 344.45 g/mol, XLogP of 5.74, 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-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-ethylpyridazine is sourced from PubChem (CID 139778955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).