1-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-4H-pyridazine

C10H11FN2 — CID 143910930

IUPAC1-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-4H-pyridazine
SMILESC=C/C=C(/F)C(=C)N1C=CCC=N1
InChIInChI=1S/C10H11FN2/c1-3-6-10(11)9(2)13-8-5-4-7-12-13/h3,5-8H,1-2,4H2/b10-6+
InChIKeyURXSIEACNYCGAF-UXBLZVDNSA-N
MW178.21 g/mol
LogP2.74
Rot. Bonds3

About 1-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-4H-pyridazine

1-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-4H-pyridazine (PubChem CID 143910930) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 1-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-4H-pyridazine.

Molecular Properties

Compound Name1-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-4H-pyridazine
PubChem CID143910930
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name1-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-4H-pyridazine
SMILESC=C/C=C(/F)C(=C)N1C=CCC=N1
InChIInChI=1S/C10H11FN2/c1-3-6-10(11)9(2)13-8-5-4-7-12-13/h3,5-8H,1-2,4H2/b10-6+
InChIKeyURXSIEACNYCGAF-UXBLZVDNSA-N
XLogP2.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-4H-pyridazine?
The IUPAC name of 1-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-4H-pyridazine (CID 143910930) is 1-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-4H-pyridazine.
What is the SMILES notation for 1-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-4H-pyridazine?
The canonical SMILES for 1-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-4H-pyridazine is C=C/C=C(/F)C(=C)N1C=CCC=N1.
What is the InChIKey of 1-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-4H-pyridazine?
The InChIKey is URXSIEACNYCGAF-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H11FN2/c1-3-6-10(11)9(2)13-8-5-4-7-12-13/h3,5-8H,1-2,4H2/b10-6+.
What are the key properties of 1-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-4H-pyridazine?
1-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-4H-pyridazine has a molecular weight of 178.21 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-4H-pyridazine is sourced from PubChem (CID 143910930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).