(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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Related Compounds

(3E)-2,5-difluorohexa-1,3,5-trien-3-amine
CID 143077726
2-fluorobuta-1,3-diene
CID 551655
(3E,5E)-2,4,6-trifluorohepta-1,3,5-triene
CID 118964187
(3Z)-2-fluoro-4-methyl-5-methylidenehepta-1,3-diene
CID 169164324
(3Z)-4-ethyl-2-fluorohexa-1,3,5-triene
CID 142052803
(2E,4E)-4-bromo-6-fluorohepta-2,4,6-trien-3-ol
CID 178133361
(2E)-4-fluoro-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
CID 144678722
(3E,5Z)-2,4-difluoro-5-propan-2-ylhepta-1,3,5-triene
CID 89217781
(2E)-2-ethenyl-4-fluoropenta-2,4-dienenitrile
CID 143547944
(3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 144683889
(3E)-5-fluoro-3-methoxyhexa-1,3,5-trien-2-amine
CID 146382961
(3Z,5E)-2,5-difluoro-4-propan-2-ylhepta-1,3,5-triene
CID 149203613

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).