(3E)-2,4-difluorohexa-1,3,5-triene;zinc

C6H5F2Zn- — CID 166121313

IUPAC(3E)-2,4-difluorohexa-1,3,5-triene;zinc
SMILESC=[C-]/C(F)=C\C(=C)F.[Zn]
InChIInChI=1S/C6H5F2.Zn/c1-3-6(8)4-5(2)7;/h4H,1-2H2;/q-1;/b6-4+;
InChIKeyIGEVYFSPLRMDER-CVDVRWGVSA-N
MW180.49 g/mol
LogP2.31
Rot. Bonds2

About (3E)-2,4-difluorohexa-1,3,5-triene;zinc

(3E)-2,4-difluorohexa-1,3,5-triene;zinc (PubChem CID 166121313) has the molecular formula C6H5F2Zn- and a molecular weight of 180.49 g/mol. Its IUPAC name is (3E)-2,4-difluorohexa-1,3,5-triene;zinc.

Molecular Properties

Compound Name(3E)-2,4-difluorohexa-1,3,5-triene;zinc
PubChem CID166121313
Molecular FormulaC6H5F2Zn-
Molecular Weight180.49 g/mol
Exact Mass178.97
IUPAC Name(3E)-2,4-difluorohexa-1,3,5-triene;zinc
SMILESC=[C-]/C(F)=C\C(=C)F.[Zn]
InChIInChI=1S/C6H5F2.Zn/c1-3-6(8)4-5(2)7;/h4H,1-2H2;/q-1;/b6-4+;
InChIKeyIGEVYFSPLRMDER-CVDVRWGVSA-N
XLogP2.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.49
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-2,4-difluorohexa-1,3,5-triene;zinc?
The IUPAC name of (3E)-2,4-difluorohexa-1,3,5-triene;zinc (CID 166121313) is (3E)-2,4-difluorohexa-1,3,5-triene;zinc.
What is the SMILES notation for (3E)-2,4-difluorohexa-1,3,5-triene;zinc?
The canonical SMILES for (3E)-2,4-difluorohexa-1,3,5-triene;zinc is C=[C-]/C(F)=C\C(=C)F.[Zn].
What is the InChIKey of (3E)-2,4-difluorohexa-1,3,5-triene;zinc?
The InChIKey is IGEVYFSPLRMDER-CVDVRWGVSA-N. The full InChI is InChI=1S/C6H5F2.Zn/c1-3-6(8)4-5(2)7;/h4H,1-2H2;/q-1;/b6-4+;.
What are the key properties of (3E)-2,4-difluorohexa-1,3,5-triene;zinc?
(3E)-2,4-difluorohexa-1,3,5-triene;zinc has a molecular weight of 180.49 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2,4-difluorohexa-1,3,5-triene;zinc is sourced from PubChem (CID 166121313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).