(3,4-difluorophenyl) thiohypoiodite

C6H3F2IS — CID 130223828

IUPAC(3,4-difluorophenyl) thiohypoiodite
SMILESFc1ccc(SI)cc1F
InChIInChI=1S/C6H3F2IS/c7-5-2-1-4(10-9)3-6(5)8/h1-3H
InChIKeyCQGYMBLPHYWMRY-UHFFFAOYSA-N
MW272.06 g/mol
LogP3.41
Rot. Bonds1

About (3,4-difluorophenyl) thiohypoiodite

(3,4-difluorophenyl) thiohypoiodite (PubChem CID 130223828) has the molecular formula C6H3F2IS and a molecular weight of 272.06 g/mol. Its IUPAC name is (3,4-difluorophenyl) thiohypoiodite.

Molecular Properties

Compound Name(3,4-difluorophenyl) thiohypoiodite
PubChem CID130223828
Molecular FormulaC6H3F2IS
Molecular Weight272.06 g/mol
Exact Mass271.90
IUPAC Name(3,4-difluorophenyl) thiohypoiodite
SMILESFc1ccc(SI)cc1F
InChIInChI=1S/C6H3F2IS/c7-5-2-1-4(10-9)3-6(5)8/h1-3H
InChIKeyCQGYMBLPHYWMRY-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.06
LogP ≤ 53.41
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 (3,4-difluorophenyl) thiohypoiodite?
The IUPAC name of (3,4-difluorophenyl) thiohypoiodite (CID 130223828) is (3,4-difluorophenyl) thiohypoiodite.
What is the SMILES notation for (3,4-difluorophenyl) thiohypoiodite?
The canonical SMILES for (3,4-difluorophenyl) thiohypoiodite is Fc1ccc(SI)cc1F.
What is the InChIKey of (3,4-difluorophenyl) thiohypoiodite?
The InChIKey is CQGYMBLPHYWMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F2IS/c7-5-2-1-4(10-9)3-6(5)8/h1-3H.
What are the key properties of (3,4-difluorophenyl) thiohypoiodite?
(3,4-difluorophenyl) thiohypoiodite has a molecular weight of 272.06 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl) thiohypoiodite is sourced from PubChem (CID 130223828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).