3-ethenyl-5-[(7Z,8E,10Z)-7-ethylidene-9-fluorododeca-8,10-dienyl]-1-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-4H-pyridazine

C26H36F2N2 — CID 143431310

IUPAC3-ethenyl-5-[(7Z,8E,10Z)-7-ethylidene-9-fluorododeca-8,10-dienyl]-1-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-4H-pyridazine
SMILESC=CC1=NN(C/C=C\C(F)=C/C)C=C(CCCCCCC(=C/C)/C=C(F)\C=C/C)C1
InChIInChI=1S/C26H36F2N2/c1-5-14-25(28)19-22(6-2)15-11-9-10-12-16-23-20-26(8-4)29-30(21-23)18-13-17-24(27)7-3/h5-8,13-14,17,19,21H,4,9-12,15-16,18,20H2,1-3H3/b14-5-,17-13-,22-6-,24-7+,25-19+
InChIKeyPLCTYIHJSLTJKI-FANXDALXSA-N
MW414.58 g/mol
LogP8.26
Rot. Bonds13

About 3-ethenyl-5-[(7Z,8E,10Z)-7-ethylidene-9-fluorododeca-8,10-dienyl]-1-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-4H-pyridazine

3-ethenyl-5-[(7Z,8E,10Z)-7-ethylidene-9-fluorododeca-8,10-dienyl]-1-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-4H-pyridazine (PubChem CID 143431310) has the molecular formula C26H36F2N2 and a molecular weight of 414.58 g/mol. Its IUPAC name is 3-ethenyl-5-[(7Z,8E,10Z)-7-ethylidene-9-fluorododeca-8,10-dienyl]-1-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-4H-pyridazine.

Molecular Properties

Compound Name3-ethenyl-5-[(7Z,8E,10Z)-7-ethylidene-9-fluorododeca-8,10-dienyl]-1-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-4H-pyridazine
PubChem CID143431310
Molecular FormulaC26H36F2N2
Molecular Weight414.58 g/mol
Exact Mass414.28
IUPAC Name3-ethenyl-5-[(7Z,8E,10Z)-7-ethylidene-9-fluorododeca-8,10-dienyl]-1-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-4H-pyridazine
SMILESC=CC1=NN(C/C=C\C(F)=C/C)C=C(CCCCCCC(=C/C)/C=C(F)\C=C/C)C1
InChIInChI=1S/C26H36F2N2/c1-5-14-25(28)19-22(6-2)15-11-9-10-12-16-23-20-26(8-4)29-30(21-23)18-13-17-24(27)7-3/h5-8,13-14,17,19,21H,4,9-12,15-16,18,20H2,1-3H3/b14-5-,17-13-,22-6-,24-7+,25-19+
InChIKeyPLCTYIHJSLTJKI-FANXDALXSA-N
XLogP8.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.58
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethenyl-5-[(7Z,8E,10Z)-7-ethylidene-9-fluorododeca-8,10-dienyl]-1-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-4H-pyridazine with MolForge

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Related Compounds

5-methyl-N-(3-methyl-2-methylidenepyrazin-1-yl)-7-(trifluoromethyl)deca-5,7,9-trien-2-imine
CID 123274532
3-(4,4-Difluorocyclohexen-1-yl)-6-methylidene-1-prop-2-enylpyridazine
CID 156424122

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-[(7Z,8E,10Z)-7-ethylidene-9-fluorododeca-8,10-dienyl]-1-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-4H-pyridazine?
The IUPAC name of 3-ethenyl-5-[(7Z,8E,10Z)-7-ethylidene-9-fluorododeca-8,10-dienyl]-1-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-4H-pyridazine (CID 143431310) is 3-ethenyl-5-[(7Z,8E,10Z)-7-ethylidene-9-fluorododeca-8,10-dienyl]-1-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-4H-pyridazine.
What is the SMILES notation for 3-ethenyl-5-[(7Z,8E,10Z)-7-ethylidene-9-fluorododeca-8,10-dienyl]-1-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-4H-pyridazine?
The canonical SMILES for 3-ethenyl-5-[(7Z,8E,10Z)-7-ethylidene-9-fluorododeca-8,10-dienyl]-1-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-4H-pyridazine is C=CC1=NN(C/C=C\C(F)=C/C)C=C(CCCCCCC(=C/C)/C=C(F)\C=C/C)C1.
What is the InChIKey of 3-ethenyl-5-[(7Z,8E,10Z)-7-ethylidene-9-fluorododeca-8,10-dienyl]-1-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-4H-pyridazine?
The InChIKey is PLCTYIHJSLTJKI-FANXDALXSA-N. The full InChI is InChI=1S/C26H36F2N2/c1-5-14-25(28)19-22(6-2)15-11-9-10-12-16-23-20-26(8-4)29-30(21-23)18-13-17-24(27)7-3/h5-8,13-14,17,19,21H,4,9-12,15-16,18,20H2,1-3H3/b14-5-,17-13-,22-6-,24-7+,25-19+.
What are the key properties of 3-ethenyl-5-[(7Z,8E,10Z)-7-ethylidene-9-fluorododeca-8,10-dienyl]-1-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-4H-pyridazine?
3-ethenyl-5-[(7Z,8E,10Z)-7-ethylidene-9-fluorododeca-8,10-dienyl]-1-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-4H-pyridazine has a molecular weight of 414.58 g/mol, XLogP of 8.26, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-[(7Z,8E,10Z)-7-ethylidene-9-fluorododeca-8,10-dienyl]-1-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-4H-pyridazine is sourced from PubChem (CID 143431310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).