[(E)-2-(4-chloro-2-fluorophenyl)ethenyl] thiohypoiodite

C8H5ClFIS — CID 144581677

IUPAC[(E)-2-(4-chloro-2-fluorophenyl)ethenyl] thiohypoiodite
SMILESFc1cc(Cl)ccc1/C=C/SI
InChIInChI=1S/C8H5ClFIS/c9-7-2-1-6(3-4-12-11)8(10)5-7/h1-5H/b4-3+
InChIKeyJJKAWNQXPITSKP-ONEGZZNKSA-N
MW314.55 g/mol
LogP4.53
Rot. Bonds2

About [(E)-2-(4-chloro-2-fluorophenyl)ethenyl] thiohypoiodite

[(E)-2-(4-chloro-2-fluorophenyl)ethenyl] thiohypoiodite (PubChem CID 144581677) has the molecular formula C8H5ClFIS and a molecular weight of 314.55 g/mol. Its IUPAC name is [(E)-2-(4-chloro-2-fluorophenyl)ethenyl] thiohypoiodite.

Molecular Properties

Compound Name[(E)-2-(4-chloro-2-fluorophenyl)ethenyl] thiohypoiodite
PubChem CID144581677
Molecular FormulaC8H5ClFIS
Molecular Weight314.55 g/mol
Exact Mass313.88
IUPAC Name[(E)-2-(4-chloro-2-fluorophenyl)ethenyl] thiohypoiodite
SMILESFc1cc(Cl)ccc1/C=C/SI
InChIInChI=1S/C8H5ClFIS/c9-7-2-1-6(3-4-12-11)8(10)5-7/h1-5H/b4-3+
InChIKeyJJKAWNQXPITSKP-ONEGZZNKSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.55
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-(4-chloro-2-fluorophenyl)ethenyl] thiohypoiodite?
The IUPAC name of [(E)-2-(4-chloro-2-fluorophenyl)ethenyl] thiohypoiodite (CID 144581677) is [(E)-2-(4-chloro-2-fluorophenyl)ethenyl] thiohypoiodite.
What is the SMILES notation for [(E)-2-(4-chloro-2-fluorophenyl)ethenyl] thiohypoiodite?
The canonical SMILES for [(E)-2-(4-chloro-2-fluorophenyl)ethenyl] thiohypoiodite is Fc1cc(Cl)ccc1/C=C/SI.
What is the InChIKey of [(E)-2-(4-chloro-2-fluorophenyl)ethenyl] thiohypoiodite?
The InChIKey is JJKAWNQXPITSKP-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H5ClFIS/c9-7-2-1-6(3-4-12-11)8(10)5-7/h1-5H/b4-3+.
What are the key properties of [(E)-2-(4-chloro-2-fluorophenyl)ethenyl] thiohypoiodite?
[(E)-2-(4-chloro-2-fluorophenyl)ethenyl] thiohypoiodite has a molecular weight of 314.55 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(4-chloro-2-fluorophenyl)ethenyl] thiohypoiodite is sourced from PubChem (CID 144581677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).