3-(6-fluoroheptyl)-6-prop-2-enoxypyridazine

C14H21FN2O — CID 67815325

IUPAC3-(6-fluoroheptyl)-6-prop-2-enoxypyridazine
SMILESC=CCOc1ccc(CCCCCC(C)F)nn1
InChIInChI=1S/C14H21FN2O/c1-3-11-18-14-10-9-13(16-17-14)8-6-4-5-7-12(2)15/h3,9-10,12H,1,4-8,11H2,2H3
InChIKeySQTMUKPJCOEQOW-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.50
Rot. Bonds9

About 3-(6-fluoroheptyl)-6-prop-2-enoxypyridazine

3-(6-fluoroheptyl)-6-prop-2-enoxypyridazine (PubChem CID 67815325) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-(6-fluoroheptyl)-6-prop-2-enoxypyridazine.

Molecular Properties

Compound Name3-(6-fluoroheptyl)-6-prop-2-enoxypyridazine
PubChem CID67815325
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name3-(6-fluoroheptyl)-6-prop-2-enoxypyridazine
SMILESC=CCOc1ccc(CCCCCC(C)F)nn1
InChIInChI=1S/C14H21FN2O/c1-3-11-18-14-10-9-13(16-17-14)8-6-4-5-7-12(2)15/h3,9-10,12H,1,4-8,11H2,2H3
InChIKeySQTMUKPJCOEQOW-UHFFFAOYSA-N
XLogP3.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoroheptyl)-6-prop-2-enoxypyridazine?
The IUPAC name of 3-(6-fluoroheptyl)-6-prop-2-enoxypyridazine (CID 67815325) is 3-(6-fluoroheptyl)-6-prop-2-enoxypyridazine.
What is the SMILES notation for 3-(6-fluoroheptyl)-6-prop-2-enoxypyridazine?
The canonical SMILES for 3-(6-fluoroheptyl)-6-prop-2-enoxypyridazine is C=CCOc1ccc(CCCCCC(C)F)nn1.
What is the InChIKey of 3-(6-fluoroheptyl)-6-prop-2-enoxypyridazine?
The InChIKey is SQTMUKPJCOEQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-11-18-14-10-9-13(16-17-14)8-6-4-5-7-12(2)15/h3,9-10,12H,1,4-8,11H2,2H3.
What are the key properties of 3-(6-fluoroheptyl)-6-prop-2-enoxypyridazine?
3-(6-fluoroheptyl)-6-prop-2-enoxypyridazine has a molecular weight of 252.33 g/mol, XLogP of 3.50, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoroheptyl)-6-prop-2-enoxypyridazine is sourced from PubChem (CID 67815325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).