3-[(E)-6-fluorohept-1-enyl]-6-(4-prop-2-enylphenyl)pyridazine

C20H23FN2 — CID 67637372

IUPAC3-[(E)-6-fluorohept-1-enyl]-6-(4-prop-2-enylphenyl)pyridazine
SMILESC=CCc1ccc(-c2ccc(/C=C/CCCC(C)F)nn2)cc1
InChIInChI=1S/C20H23FN2/c1-3-7-17-10-12-18(13-11-17)20-15-14-19(22-23-20)9-6-4-5-8-16(2)21/h3,6,9-16H,1,4-5,7-8H2,2H3/b9-6+
InChIKeyUUTNKEZHDKQOHU-RMKNXTFCSA-N
MW310.42 g/mol
LogP5.41
Rot. Bonds8

About 3-[(E)-6-fluorohept-1-enyl]-6-(4-prop-2-enylphenyl)pyridazine

3-[(E)-6-fluorohept-1-enyl]-6-(4-prop-2-enylphenyl)pyridazine (PubChem CID 67637372) has the molecular formula C20H23FN2 and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-[(E)-6-fluorohept-1-enyl]-6-(4-prop-2-enylphenyl)pyridazine.

Molecular Properties

Compound Name3-[(E)-6-fluorohept-1-enyl]-6-(4-prop-2-enylphenyl)pyridazine
PubChem CID67637372
Molecular FormulaC20H23FN2
Molecular Weight310.42 g/mol
Exact Mass310.18
IUPAC Name3-[(E)-6-fluorohept-1-enyl]-6-(4-prop-2-enylphenyl)pyridazine
SMILESC=CCc1ccc(-c2ccc(/C=C/CCCC(C)F)nn2)cc1
InChIInChI=1S/C20H23FN2/c1-3-7-17-10-12-18(13-11-17)20-15-14-19(22-23-20)9-6-4-5-8-16(2)21/h3,6,9-16H,1,4-5,7-8H2,2H3/b9-6+
InChIKeyUUTNKEZHDKQOHU-RMKNXTFCSA-N
XLogP5.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.42
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(E)-6-fluorohept-1-enyl]phenyl]-6-(4-prop-2-enylphenyl)pyridazine
CID 70127876
3-[4-(6-fluoroheptyl)phenyl]-6-(4-prop-2-enylphenyl)pyridazine
CID 70128253
3-(6-fluoroheptyl)-6-(4-prop-2-enylphenyl)pyridazine
CID 67637563
2-[4-[(E)-6-fluorohept-1-enyl]phenyl]-6-prop-2-enylquinoline
CID 70127709
(E)-7-[5-[4-(4-prop-2-enylphenyl)phenyl]-2-pyridinyl]hept-6-en-2-ol
CID 70260964
(E)-7-[5-(4-prop-2-enylphenyl)pyrazin-2-yl]hept-6-en-2-ol
CID 70263498
2-[4-[4-(6-fluorohept-1-enyl)phenyl]phenyl]-5-prop-2-enylpyrimidine
CID 70128519
7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263352
2-[(E)-6-fluorohept-1-enyl]-5-(4-prop-2-enoxyphenyl)pyrazine
CID 70127597
2-(6-fluorohept-1-enyl)-5-(4-prop-2-enoxyphenyl)pyrazine
CID 70127599
5-[4-[(E)-6-fluorohept-1-enyl]phenyl]-2-prop-2-enylpyridine
CID 70128764
7-[4-[5-(4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
CID 70262911

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-6-fluorohept-1-enyl]-6-(4-prop-2-enylphenyl)pyridazine?
The IUPAC name of 3-[(E)-6-fluorohept-1-enyl]-6-(4-prop-2-enylphenyl)pyridazine (CID 67637372) is 3-[(E)-6-fluorohept-1-enyl]-6-(4-prop-2-enylphenyl)pyridazine.
What is the SMILES notation for 3-[(E)-6-fluorohept-1-enyl]-6-(4-prop-2-enylphenyl)pyridazine?
The canonical SMILES for 3-[(E)-6-fluorohept-1-enyl]-6-(4-prop-2-enylphenyl)pyridazine is C=CCc1ccc(-c2ccc(/C=C/CCCC(C)F)nn2)cc1.
What is the InChIKey of 3-[(E)-6-fluorohept-1-enyl]-6-(4-prop-2-enylphenyl)pyridazine?
The InChIKey is UUTNKEZHDKQOHU-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H23FN2/c1-3-7-17-10-12-18(13-11-17)20-15-14-19(22-23-20)9-6-4-5-8-16(2)21/h3,6,9-16H,1,4-5,7-8H2,2H3/b9-6+.
What are the key properties of 3-[(E)-6-fluorohept-1-enyl]-6-(4-prop-2-enylphenyl)pyridazine?
3-[(E)-6-fluorohept-1-enyl]-6-(4-prop-2-enylphenyl)pyridazine has a molecular weight of 310.42 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-6-fluorohept-1-enyl]-6-(4-prop-2-enylphenyl)pyridazine is sourced from PubChem (CID 67637372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).