3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-(4-pentylcyclohexyl)pyridazine

C26H43FN2 — CID 18605319

IUPAC3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-(4-pentylcyclohexyl)pyridazine
SMILESCCCCCC1CCC(c2ccc(CC(F)C3CCC(CCC)CC3)nn2)CC1
InChIInChI=1S/C26H43FN2/c1-3-5-6-8-21-11-15-23(16-12-21)26-18-17-24(28-29-26)19-25(27)22-13-9-20(7-4-2)10-14-22/h17-18,20-23,25H,3-16,19H2,1-2H3
InChIKeyOFJFUYNPHLSLAU-UHFFFAOYSA-N
MW402.64 g/mol
LogP7.82
Rot. Bonds10

About 3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-(4-pentylcyclohexyl)pyridazine

3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-(4-pentylcyclohexyl)pyridazine (PubChem CID 18605319) has the molecular formula C26H43FN2 and a molecular weight of 402.64 g/mol. Its IUPAC name is 3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-(4-pentylcyclohexyl)pyridazine.

Molecular Properties

Compound Name3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-(4-pentylcyclohexyl)pyridazine
PubChem CID18605319
Molecular FormulaC26H43FN2
Molecular Weight402.64 g/mol
Exact Mass402.34
IUPAC Name3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-(4-pentylcyclohexyl)pyridazine
SMILESCCCCCC1CCC(c2ccc(CC(F)C3CCC(CCC)CC3)nn2)CC1
InChIInChI=1S/C26H43FN2/c1-3-5-6-8-21-11-15-23(16-12-21)26-18-17-24(28-29-26)19-25(27)22-13-9-20(7-4-2)10-14-22/h17-18,20-23,25H,3-16,19H2,1-2H3
InChIKeyOFJFUYNPHLSLAU-UHFFFAOYSA-N
XLogP7.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.64
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-4-(4-pentylcyclohexyl)benzene
CID 18605267
1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene
CID 173398550
3-(9-cyclopropylnonyl)-6-(5-heptyl-2-pyridinyl)pyridazine
CID 22412964
2-(difluoromethoxy)-5-(4-pentylcyclohexyl)pyridine
CID 19765356
5-(4-ethylphenyl)-2-(4-heptylcyclohexyl)pyridine
CID 19859212
3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine
CID 139778532
5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine
CID 70426657
3-[2-(4-hexylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine
CID 139778801
3-[2-(4-pentylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine
CID 139778915
3-chloro-6-[4-(4-pentylcyclohexyl)phenyl]pyridazine
CID 14744678
4-[6-[2-[4-(1-fluoropentyl)cyclohexyl]ethyl]pyridazin-3-yl]benzonitrile
CID 70496974
2,5-bis(4-hexylcyclohexyl)-1,3,4-thiadiazole
CID 15597091

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-(4-pentylcyclohexyl)pyridazine?
The IUPAC name of 3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-(4-pentylcyclohexyl)pyridazine (CID 18605319) is 3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-(4-pentylcyclohexyl)pyridazine.
What is the SMILES notation for 3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-(4-pentylcyclohexyl)pyridazine?
The canonical SMILES for 3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-(4-pentylcyclohexyl)pyridazine is CCCCCC1CCC(c2ccc(CC(F)C3CCC(CCC)CC3)nn2)CC1.
What is the InChIKey of 3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-(4-pentylcyclohexyl)pyridazine?
The InChIKey is OFJFUYNPHLSLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43FN2/c1-3-5-6-8-21-11-15-23(16-12-21)26-18-17-24(28-29-26)19-25(27)22-13-9-20(7-4-2)10-14-22/h17-18,20-23,25H,3-16,19H2,1-2H3.
What are the key properties of 3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-(4-pentylcyclohexyl)pyridazine?
3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-(4-pentylcyclohexyl)pyridazine has a molecular weight of 402.64 g/mol, XLogP of 7.82, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-6-(4-pentylcyclohexyl)pyridazine is sourced from PubChem (CID 18605319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).