3-[4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methylpyridazine

C21H26F2N2 — CID 139779038

IUPAC3-[4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methylpyridazine
SMILESCCC1CCC(CCc2ccc(-c3ccc(C)nn3)c(F)c2F)CC1
InChIInChI=1S/C21H26F2N2/c1-3-15-5-7-16(8-6-15)9-10-17-11-12-18(21(23)20(17)22)19-13-4-14(2)24-25-19/h4,11-13,15-16H,3,5-10H2,1-2H3
InChIKeyXGDFBULJUCFAMJ-UHFFFAOYSA-N
MW344.45 g/mol
LogP5.88
Rot. Bonds5

About 3-[4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methylpyridazine

3-[4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methylpyridazine (PubChem CID 139779038) has the molecular formula C21H26F2N2 and a molecular weight of 344.45 g/mol. Its IUPAC name is 3-[4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methylpyridazine.

Molecular Properties

Compound Name3-[4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methylpyridazine
PubChem CID139779038
Molecular FormulaC21H26F2N2
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name3-[4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methylpyridazine
SMILESCCC1CCC(CCc2ccc(-c3ccc(C)nn3)c(F)c2F)CC1
InChIInChI=1S/C21H26F2N2/c1-3-15-5-7-16(8-6-15)9-10-17-11-12-18(21(23)20(17)22)19-13-4-14(2)24-25-19/h4,11-13,15-16H,3,5-10H2,1-2H3
InChIKeyXGDFBULJUCFAMJ-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-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methylpyridazine
CID 139778526
3-(2,3-difluoro-4-methylphenyl)-6-[2-(4-ethylcyclohexyl)ethyl]pyridazine
CID 139778923
3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-ethylpyridazine
CID 139778955
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-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methoxypyridazine
CID 139779129
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
1-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,3-difluoro-4-pentylbenzene
CID 135193369
3-(2,3-difluoro-4-methylphenyl)-6-methylpyridazine
CID 20663232
1-(4-ethylphenyl)-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 67895695
2,3-difluoro-1-[2-(4-methylcyclohexyl)ethyl]-4-(4-methylphenyl)benzene
CID 20683285

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methylpyridazine?
The IUPAC name of 3-[4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methylpyridazine (CID 139779038) is 3-[4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methylpyridazine.
What is the SMILES notation for 3-[4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methylpyridazine?
The canonical SMILES for 3-[4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methylpyridazine is CCC1CCC(CCc2ccc(-c3ccc(C)nn3)c(F)c2F)CC1.
What is the InChIKey of 3-[4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methylpyridazine?
The InChIKey is XGDFBULJUCFAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2/c1-3-15-5-7-16(8-6-15)9-10-17-11-12-18(21(23)20(17)22)19-13-4-14(2)24-25-19/h4,11-13,15-16H,3,5-10H2,1-2H3.
What are the key properties of 3-[4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methylpyridazine?
3-[4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methylpyridazine 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-[4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methylpyridazine is sourced from PubChem (CID 139779038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).