[(2E,4Z)-2-ethenyl-1,1-difluorohexa-2,4-dienyl] thiohypofluorite

C8H9F3S — CID 135301061

IUPAC[(2E,4Z)-2-ethenyl-1,1-difluorohexa-2,4-dienyl] thiohypofluorite
SMILESC=C/C(=C\C=C/C)C(F)(F)SF
InChIInChI=1S/C8H9F3S/c1-3-5-6-7(4-2)8(9,10)12-11/h3-6H,2H2,1H3/b5-3-,7-6+
InChIKeyDZOVEMPGRKOBHU-AIJKMKQJSA-N
MW194.22 g/mol
LogP3.89
Rot. Bonds4

About [(2E,4Z)-2-ethenyl-1,1-difluorohexa-2,4-dienyl] thiohypofluorite

[(2E,4Z)-2-ethenyl-1,1-difluorohexa-2,4-dienyl] thiohypofluorite (PubChem CID 135301061) has the molecular formula C8H9F3S and a molecular weight of 194.22 g/mol. Its IUPAC name is [(2E,4Z)-2-ethenyl-1,1-difluorohexa-2,4-dienyl] thiohypofluorite.

Molecular Properties

Compound Name[(2E,4Z)-2-ethenyl-1,1-difluorohexa-2,4-dienyl] thiohypofluorite
PubChem CID135301061
Molecular FormulaC8H9F3S
Molecular Weight194.22 g/mol
Exact Mass194.04
IUPAC Name[(2E,4Z)-2-ethenyl-1,1-difluorohexa-2,4-dienyl] thiohypofluorite
SMILESC=C/C(=C\C=C/C)C(F)(F)SF
InChIInChI=1S/C8H9F3S/c1-3-5-6-7(4-2)8(9,10)12-11/h3-6H,2H2,1H3/b5-3-,7-6+
InChIKeyDZOVEMPGRKOBHU-AIJKMKQJSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-2-ethenyl-1,1-difluorohexa-2,4-dienyl] thiohypofluorite?
The IUPAC name of [(2E,4Z)-2-ethenyl-1,1-difluorohexa-2,4-dienyl] thiohypofluorite (CID 135301061) is [(2E,4Z)-2-ethenyl-1,1-difluorohexa-2,4-dienyl] thiohypofluorite.
What is the SMILES notation for [(2E,4Z)-2-ethenyl-1,1-difluorohexa-2,4-dienyl] thiohypofluorite?
The canonical SMILES for [(2E,4Z)-2-ethenyl-1,1-difluorohexa-2,4-dienyl] thiohypofluorite is C=C/C(=C\C=C/C)C(F)(F)SF.
What is the InChIKey of [(2E,4Z)-2-ethenyl-1,1-difluorohexa-2,4-dienyl] thiohypofluorite?
The InChIKey is DZOVEMPGRKOBHU-AIJKMKQJSA-N. The full InChI is InChI=1S/C8H9F3S/c1-3-5-6-7(4-2)8(9,10)12-11/h3-6H,2H2,1H3/b5-3-,7-6+.
What are the key properties of [(2E,4Z)-2-ethenyl-1,1-difluorohexa-2,4-dienyl] thiohypofluorite?
[(2E,4Z)-2-ethenyl-1,1-difluorohexa-2,4-dienyl] thiohypofluorite has a molecular weight of 194.22 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-2-ethenyl-1,1-difluorohexa-2,4-dienyl] thiohypofluorite is sourced from PubChem (CID 135301061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).