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

C23H31FN2 — CID 139779122

IUPAC3-butyl-6-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyridazine
SMILESCCCCc1ccc(-c2ccc(CCC3CCC(C)CC3)cc2F)nn1
InChIInChI=1S/C23H31FN2/c1-3-4-5-20-13-15-23(26-25-20)21-14-12-19(16-22(21)24)11-10-18-8-6-17(2)7-9-18/h12-18H,3-11H2,1-2H3
InChIKeyJRSYTCACDSKTRW-UHFFFAOYSA-N
MW354.51 g/mol
LogP6.38
Rot. Bonds7

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

3-butyl-6-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyridazine (PubChem CID 139779122) has the molecular formula C23H31FN2 and a molecular weight of 354.51 g/mol. Its IUPAC name is 3-butyl-6-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyridazine.

Molecular Properties

Compound Name3-butyl-6-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyridazine
PubChem CID139779122
Molecular FormulaC23H31FN2
Molecular Weight354.51 g/mol
Exact Mass354.25
IUPAC Name3-butyl-6-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyridazine
SMILESCCCCc1ccc(-c2ccc(CCC3CCC(C)CC3)cc2F)nn1
InChIInChI=1S/C23H31FN2/c1-3-4-5-20-13-15-23(26-25-20)21-14-12-19(16-22(21)24)11-10-18-8-6-17(2)7-9-18/h12-18H,3-11H2,1-2H3
InChIKeyJRSYTCACDSKTRW-UHFFFAOYSA-N
XLogP6.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.51
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-fluoro-4-[2-(4-pentylcyclohexyl)ethyl]phenyl]-6-pentylpyridazine
CID 67787858
3-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-hexylpyridazine
CID 139778933
3-[4-[2-(4-ethylcyclohexyl)ethyl]-2-fluorophenyl]-6-hexylpyridazine
CID 139778797
3-[2-(4-ethylcyclohexyl)ethyl]-6-(2-fluoro-4-heptylphenyl)pyridazine
CID 139778757
3-(4-ethyl-2-fluorophenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
CID 139778517
3-(4-ethyl-2-fluorophenyl)-6-[2-(4-hexylcyclohexyl)ethyl]pyridazine
CID 139778979
5-butyl-2-[4-[2-(4-ethylcyclohexyl)ethyl]-2-fluorophenyl]pyridine
CID 18638393
3-(4-butoxy-2-fluorophenyl)-6-[2-(4-pentylcyclohexyl)ethyl]pyridazine
CID 139779121
2-[2-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-pentylpyridine
CID 57072579
3-[2-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-hexoxypyridazine
CID 139779043
3-(4-butoxy-2,3-difluorophenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139778925
3-(2-fluoro-4-pentoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
CID 139778897

Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyridazine?
The IUPAC name of 3-butyl-6-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyridazine (CID 139779122) is 3-butyl-6-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyridazine.
What is the SMILES notation for 3-butyl-6-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyridazine?
The canonical SMILES for 3-butyl-6-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyridazine is CCCCc1ccc(-c2ccc(CCC3CCC(C)CC3)cc2F)nn1.
What is the InChIKey of 3-butyl-6-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyridazine?
The InChIKey is JRSYTCACDSKTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2/c1-3-4-5-20-13-15-23(26-25-20)21-14-12-19(16-22(21)24)11-10-18-8-6-17(2)7-9-18/h12-18H,3-11H2,1-2H3.
What are the key properties of 3-butyl-6-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyridazine?
3-butyl-6-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyridazine has a molecular weight of 354.51 g/mol, XLogP of 6.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyridazine is sourced from PubChem (CID 139779122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).