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

C19H31FN2O — CID 18605323

IUPAC3-butoxy-6-[2-fluoro-2-(4-propylcyclohexyl)ethyl]pyridazine
SMILESCCCCOc1ccc(CC(F)C2CCC(CCC)CC2)nn1
InChIInChI=1S/C19H31FN2O/c1-3-5-13-23-19-12-11-17(21-22-19)14-18(20)16-9-7-15(6-4-2)8-10-16/h11-12,15-16,18H,3-10,13-14H2,1-2H3
InChIKeyHAGHHHVHWVVNRJ-UHFFFAOYSA-N
MW322.47 g/mol
LogP5.14
Rot. Bonds9

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

3-butoxy-6-[2-fluoro-2-(4-propylcyclohexyl)ethyl]pyridazine (PubChem CID 18605323) has the molecular formula C19H31FN2O and a molecular weight of 322.47 g/mol. Its IUPAC name is 3-butoxy-6-[2-fluoro-2-(4-propylcyclohexyl)ethyl]pyridazine.

Molecular Properties

Compound Name3-butoxy-6-[2-fluoro-2-(4-propylcyclohexyl)ethyl]pyridazine
PubChem CID18605323
Molecular FormulaC19H31FN2O
Molecular Weight322.47 g/mol
Exact Mass322.24
IUPAC Name3-butoxy-6-[2-fluoro-2-(4-propylcyclohexyl)ethyl]pyridazine
SMILESCCCCOc1ccc(CC(F)C2CCC(CCC)CC2)nn1
InChIInChI=1S/C19H31FN2O/c1-3-5-13-23-19-12-11-17(21-22-19)14-18(20)16-9-7-15(6-4-2)8-10-16/h11-12,15-16,18H,3-10,13-14H2,1-2H3
InChIKeyHAGHHHVHWVVNRJ-UHFFFAOYSA-N
XLogP5.14
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.47
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 76320180
CID 76320180
CID 76334654
CID 76334654
CID 11110783
CID 11110783
CID 76320181
CID 76320181
CID 76323832
CID 76323832
CID 76323851
CID 76323851
CID 76327409
CID 76327409
CID 76331070
CID 76331070
CID 76334653
CID 76334653
CID 76334655
CID 76334655
CID 141046208
CID 141046208
CID 10925614
CID 10925614

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-6-[2-fluoro-2-(4-propylcyclohexyl)ethyl]pyridazine?
The IUPAC name of 3-butoxy-6-[2-fluoro-2-(4-propylcyclohexyl)ethyl]pyridazine (CID 18605323) is 3-butoxy-6-[2-fluoro-2-(4-propylcyclohexyl)ethyl]pyridazine.
What is the SMILES notation for 3-butoxy-6-[2-fluoro-2-(4-propylcyclohexyl)ethyl]pyridazine?
The canonical SMILES for 3-butoxy-6-[2-fluoro-2-(4-propylcyclohexyl)ethyl]pyridazine is CCCCOc1ccc(CC(F)C2CCC(CCC)CC2)nn1.
What is the InChIKey of 3-butoxy-6-[2-fluoro-2-(4-propylcyclohexyl)ethyl]pyridazine?
The InChIKey is HAGHHHVHWVVNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN2O/c1-3-5-13-23-19-12-11-17(21-22-19)14-18(20)16-9-7-15(6-4-2)8-10-16/h11-12,15-16,18H,3-10,13-14H2,1-2H3.
What are the key properties of 3-butoxy-6-[2-fluoro-2-(4-propylcyclohexyl)ethyl]pyridazine?
3-butoxy-6-[2-fluoro-2-(4-propylcyclohexyl)ethyl]pyridazine has a molecular weight of 322.47 g/mol, XLogP of 5.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-6-[2-fluoro-2-(4-propylcyclohexyl)ethyl]pyridazine is sourced from PubChem (CID 18605323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).