3-(6-fluoroheptyl)-6-(4-prop-2-enylphenyl)pyridazine

C20H25FN2 — CID 67637563

IUPAC3-(6-fluoroheptyl)-6-(4-prop-2-enylphenyl)pyridazine
SMILESC=CCc1ccc(-c2ccc(CCCCCC(C)F)nn2)cc1
InChIInChI=1S/C20H25FN2/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/h3,10-16H,1,4-9H2,2H3
InChIKeyKZRYDNSGOHBMSN-UHFFFAOYSA-N
MW312.43 g/mol
LogP5.33
Rot. Bonds9

About 3-(6-fluoroheptyl)-6-(4-prop-2-enylphenyl)pyridazine

3-(6-fluoroheptyl)-6-(4-prop-2-enylphenyl)pyridazine (PubChem CID 67637563) has the molecular formula C20H25FN2 and a molecular weight of 312.43 g/mol. Its IUPAC name is 3-(6-fluoroheptyl)-6-(4-prop-2-enylphenyl)pyridazine.

Molecular Properties

Compound Name3-(6-fluoroheptyl)-6-(4-prop-2-enylphenyl)pyridazine
PubChem CID67637563
Molecular FormulaC20H25FN2
Molecular Weight312.43 g/mol
Exact Mass312.20
IUPAC Name3-(6-fluoroheptyl)-6-(4-prop-2-enylphenyl)pyridazine
SMILESC=CCc1ccc(-c2ccc(CCCCCC(C)F)nn2)cc1
InChIInChI=1S/C20H25FN2/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/h3,10-16H,1,4-9H2,2H3
InChIKeyKZRYDNSGOHBMSN-UHFFFAOYSA-N
XLogP5.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.43
LogP ≤ 55.33
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-(6-fluoroheptyl)phenyl]-6-(4-prop-2-enylphenyl)pyridazine
CID 70128253
3-[4-[(E)-6-fluorohept-1-enyl]phenyl]-6-(4-prop-2-enylphenyl)pyridazine
CID 70127876
3-[(E)-6-fluorohept-1-enyl]-6-(4-prop-2-enylphenyl)pyridazine
CID 67637372
1-(6-fluoroheptyl)-4-(4-prop-2-enoxyphenyl)benzene
CID 67636516
6-(6-fluoroheptyl)-2-prop-2-enylquinoxaline
CID 67636557
3-(4-decylphenyl)-6-propylpyridazine
CID 13360938
5-(6-fluorohept-1-ynyl)-2-(4-prop-2-enylphenyl)pyrimidine
CID 70128636
2-[4-(6-fluoroheptyl)-2-prop-2-enylphenyl]quinoline
CID 67636311
2-[4-[(E)-6-fluorohept-1-enyl]phenyl]-6-prop-2-enylquinoline
CID 70127709
5-[4-[(E)-6-fluorohept-1-enyl]phenyl]-2-prop-2-enylpyridine
CID 70128764
3-[4-(6-fluorohept-1-ynyl)phenyl]-7-prop-2-enylisoquinoline
CID 70127622
bis(1-prop-2-enyl-4-(4-prop-2-enylphenyl)benzene);hydrate
CID 174815878

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoroheptyl)-6-(4-prop-2-enylphenyl)pyridazine?
The IUPAC name of 3-(6-fluoroheptyl)-6-(4-prop-2-enylphenyl)pyridazine (CID 67637563) is 3-(6-fluoroheptyl)-6-(4-prop-2-enylphenyl)pyridazine.
What is the SMILES notation for 3-(6-fluoroheptyl)-6-(4-prop-2-enylphenyl)pyridazine?
The canonical SMILES for 3-(6-fluoroheptyl)-6-(4-prop-2-enylphenyl)pyridazine is C=CCc1ccc(-c2ccc(CCCCCC(C)F)nn2)cc1.
What is the InChIKey of 3-(6-fluoroheptyl)-6-(4-prop-2-enylphenyl)pyridazine?
The InChIKey is KZRYDNSGOHBMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2/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/h3,10-16H,1,4-9H2,2H3.
What are the key properties of 3-(6-fluoroheptyl)-6-(4-prop-2-enylphenyl)pyridazine?
3-(6-fluoroheptyl)-6-(4-prop-2-enylphenyl)pyridazine has a molecular weight of 312.43 g/mol, XLogP of 5.33, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoroheptyl)-6-(4-prop-2-enylphenyl)pyridazine is sourced from PubChem (CID 67637563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).