3-(3-fluoro-4-propoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine

C22H29FN2O — CID 139779042

IUPAC3-(3-fluoro-4-propoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
SMILESCCCOc1ccc(-c2ccc(CCC3CCC(C)CC3)nn2)cc1F
InChIInChI=1S/C22H29FN2O/c1-3-14-26-22-13-9-18(15-20(22)23)21-12-11-19(24-25-21)10-8-17-6-4-16(2)5-7-17/h9,11-13,15-17H,3-8,10,14H2,1-2H3
InChIKeyGKUBHMCUZHZSAK-UHFFFAOYSA-N
MW356.49 g/mol
LogP5.83
Rot. Bonds7

About 3-(3-fluoro-4-propoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine

3-(3-fluoro-4-propoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine (PubChem CID 139779042) has the molecular formula C22H29FN2O and a molecular weight of 356.49 g/mol. Its IUPAC name is 3-(3-fluoro-4-propoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine.

Molecular Properties

Compound Name3-(3-fluoro-4-propoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
PubChem CID139779042
Molecular FormulaC22H29FN2O
Molecular Weight356.49 g/mol
Exact Mass356.23
IUPAC Name3-(3-fluoro-4-propoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
SMILESCCCOc1ccc(-c2ccc(CCC3CCC(C)CC3)nn2)cc1F
InChIInChI=1S/C22H29FN2O/c1-3-14-26-22-13-9-18(15-20(22)23)21-12-11-19(24-25-21)10-8-17-6-4-16(2)5-7-17/h9,11-13,15-17H,3-8,10,14H2,1-2H3
InChIKeyGKUBHMCUZHZSAK-UHFFFAOYSA-N
XLogP5.83
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.49
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexoxyphenyl)pyridazine
CID 139778798
3-(4-butoxy-2,3-difluorophenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139778925
3-(3-fluoro-4-methylphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
CID 139778851
3-(4-heptoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139778646
3-[2-(4-butylcyclohexyl)ethyl]-6-(3-fluoro-4-pentylphenyl)pyridazine
CID 139778699
3-(2-fluoro-4-propoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
CID 139778926
3-[3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-propylpyridazine
CID 67787578
3-[3-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-hexoxypyridazine
CID 139779031
3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexylphenyl)pyridazine
CID 139779119
3-[3-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine
CID 139778818
3-(3-fluoro-4-propylphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
CID 139779136
3-(4-butoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
CID 139778924

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-propoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine?
The IUPAC name of 3-(3-fluoro-4-propoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine (CID 139779042) is 3-(3-fluoro-4-propoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine.
What is the SMILES notation for 3-(3-fluoro-4-propoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine?
The canonical SMILES for 3-(3-fluoro-4-propoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine is CCCOc1ccc(-c2ccc(CCC3CCC(C)CC3)nn2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-propoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine?
The InChIKey is GKUBHMCUZHZSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O/c1-3-14-26-22-13-9-18(15-20(22)23)21-12-11-19(24-25-21)10-8-17-6-4-16(2)5-7-17/h9,11-13,15-17H,3-8,10,14H2,1-2H3.
What are the key properties of 3-(3-fluoro-4-propoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine?
3-(3-fluoro-4-propoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine has a molecular weight of 356.49 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-propoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine is sourced from PubChem (CID 139779042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).