3-(6-fluorohept-1-en-4-yl)-6-prop-2-enylpyridazine

C14H19FN2 — CID 67659031

IUPAC3-(6-fluorohept-1-en-4-yl)-6-prop-2-enylpyridazine
SMILESC=CCc1ccc(C(CC=C)CC(C)F)nn1
InChIInChI=1S/C14H19FN2/c1-4-6-12(10-11(3)15)14-9-8-13(7-5-2)16-17-14/h4-5,8-9,11-12H,1-2,6-7,10H2,3H3
InChIKeyILBZXFHTCKMARZ-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.61
Rot. Bonds7

About 3-(6-fluorohept-1-en-4-yl)-6-prop-2-enylpyridazine

3-(6-fluorohept-1-en-4-yl)-6-prop-2-enylpyridazine (PubChem CID 67659031) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-(6-fluorohept-1-en-4-yl)-6-prop-2-enylpyridazine.

Molecular Properties

Compound Name3-(6-fluorohept-1-en-4-yl)-6-prop-2-enylpyridazine
PubChem CID67659031
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name3-(6-fluorohept-1-en-4-yl)-6-prop-2-enylpyridazine
SMILESC=CCc1ccc(C(CC=C)CC(C)F)nn1
InChIInChI=1S/C14H19FN2/c1-4-6-12(10-11(3)15)14-9-8-13(7-5-2)16-17-14/h4-5,8-9,11-12H,1-2,6-7,10H2,3H3
InChIKeyILBZXFHTCKMARZ-UHFFFAOYSA-N
XLogP3.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-Dimethylpyridazine
CID 527031
4-Methyl-3,6-diphenylpyridazine
CID 6401437
3,6-Diphenylpyridazine
CID 6401331
Pyridazine, 3,6-bis(4-methylphenyl)-
CID 12230350
US10221162, Example 765.0
CID 122702377
6-Methyl-3,4-diphenylpyridazine
CID 6411990
3-Fluoro-6-methylpyridazine
CID 12379809
3-Chloro-6-cyclohexylpyridazine
CID 13735308
4-Methyl-3,6-bis(trifluoromethyl)pyridazine
CID 71374916
3-Methyl-6-[3-(trifluoromethyl)phenyl]pyridazine
CID 10537871
3,6-Bis(p-fluorophenyl)pyridazine
CID 85621692
Pyridazine, 3-ethyl-6-methyl-
CID 12440085

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluorohept-1-en-4-yl)-6-prop-2-enylpyridazine?
The IUPAC name of 3-(6-fluorohept-1-en-4-yl)-6-prop-2-enylpyridazine (CID 67659031) is 3-(6-fluorohept-1-en-4-yl)-6-prop-2-enylpyridazine.
What is the SMILES notation for 3-(6-fluorohept-1-en-4-yl)-6-prop-2-enylpyridazine?
The canonical SMILES for 3-(6-fluorohept-1-en-4-yl)-6-prop-2-enylpyridazine is C=CCc1ccc(C(CC=C)CC(C)F)nn1.
What is the InChIKey of 3-(6-fluorohept-1-en-4-yl)-6-prop-2-enylpyridazine?
The InChIKey is ILBZXFHTCKMARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-4-6-12(10-11(3)15)14-9-8-13(7-5-2)16-17-14/h4-5,8-9,11-12H,1-2,6-7,10H2,3H3.
What are the key properties of 3-(6-fluorohept-1-en-4-yl)-6-prop-2-enylpyridazine?
3-(6-fluorohept-1-en-4-yl)-6-prop-2-enylpyridazine has a molecular weight of 234.32 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluorohept-1-en-4-yl)-6-prop-2-enylpyridazine is sourced from PubChem (CID 67659031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).