3-[3-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine

C20H25FN2O — CID 139778818

IUPAC3-[3-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine
SMILESCOc1ccc(-c2ccc(CCC3CCC(C)CC3)c(F)c2)nn1
InChIInChI=1S/C20H25FN2O/c1-14-3-5-15(6-4-14)7-8-16-9-10-17(13-18(16)21)19-11-12-20(24-2)23-22-19/h9-15H,3-8H2,1-2H3
InChIKeyAPTQBKJEKNVHDJ-UHFFFAOYSA-N
MW328.43 g/mol
LogP5.05
Rot. Bonds5

About 3-[3-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine

3-[3-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine (PubChem CID 139778818) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is 3-[3-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine.

Molecular Properties

Compound Name3-[3-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine
PubChem CID139778818
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name3-[3-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine
SMILESCOc1ccc(-c2ccc(CCC3CCC(C)CC3)c(F)c2)nn1
InChIInChI=1S/C20H25FN2O/c1-14-3-5-15(6-4-14)7-8-16-9-10-17(13-18(16)21)19-11-12-20(24-2)23-22-19/h9-15H,3-8H2,1-2H3
InChIKeyAPTQBKJEKNVHDJ-UHFFFAOYSA-N
XLogP5.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.43
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-hexoxypyridazine
CID 139779031
3-[3-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-hexoxypyridazine
CID 139778571
3-[4-[2-(4-ethylcyclohexyl)ethyl]-3-fluorophenyl]-6-pentoxypyridazine
CID 67787145
3-[4-[2-(4-butylcyclohexyl)ethyl]-3-fluorophenyl]-6-heptoxypyridazine
CID 139778675
3-[3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-propylpyridazine
CID 67787578
3-[3-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-heptylpyridazine
CID 139778666
3-[3-fluoro-4-[2-(4-hexylcyclohexyl)ethyl]phenyl]-6-propylpyridazine
CID 139778945
3-[2-(4-butylcyclohexyl)ethyl]-6-(3-fluoro-4-pentylphenyl)pyridazine
CID 139778699
3-(3-fluoro-4-propoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139779042
3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexylphenyl)pyridazine
CID 139779119
3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methoxypyridazine
CID 139779129
3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine
CID 139778550

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine?
The IUPAC name of 3-[3-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine (CID 139778818) is 3-[3-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine.
What is the SMILES notation for 3-[3-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine?
The canonical SMILES for 3-[3-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine is COc1ccc(-c2ccc(CCC3CCC(C)CC3)c(F)c2)nn1.
What is the InChIKey of 3-[3-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine?
The InChIKey is APTQBKJEKNVHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-14-3-5-15(6-4-14)7-8-16-9-10-17(13-18(16)21)19-11-12-20(24-2)23-22-19/h9-15H,3-8H2,1-2H3.
What are the key properties of 3-[3-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine?
3-[3-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine has a molecular weight of 328.43 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine is sourced from PubChem (CID 139778818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).