(2,6-difluorophenyl) thiohypoiodite

C6H3F2IS — CID 146181225

IUPAC(2,6-difluorophenyl) thiohypoiodite
SMILESFc1cccc(F)c1SI
InChIInChI=1S/C6H3F2IS/c7-4-2-1-3-5(8)6(4)10-9/h1-3H
InChIKeyQUOWJIOKBPOZRI-UHFFFAOYSA-N
MW272.06 g/mol
LogP3.41
Rot. Bonds1

About (2,6-difluorophenyl) thiohypoiodite

(2,6-difluorophenyl) thiohypoiodite (PubChem CID 146181225) has the molecular formula C6H3F2IS and a molecular weight of 272.06 g/mol. Its IUPAC name is (2,6-difluorophenyl) thiohypoiodite.

Molecular Properties

Compound Name(2,6-difluorophenyl) thiohypoiodite
PubChem CID146181225
Molecular FormulaC6H3F2IS
Molecular Weight272.06 g/mol
Exact Mass271.90
IUPAC Name(2,6-difluorophenyl) thiohypoiodite
SMILESFc1cccc(F)c1SI
InChIInChI=1S/C6H3F2IS/c7-4-2-1-3-5(8)6(4)10-9/h1-3H
InChIKeyQUOWJIOKBPOZRI-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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Related Compounds

(2,6-difluorophenyl)methyl thiohypoiodite
CID 143620116
2-(2,6-difluorophenyl)-1,3-difluorobenzene
CID 13068684
1,2,3-trifluorobenzene
CID 15147
tris(2,6-difluorophenyl)phosphane
CID 15876355
1-fluoro-2,3-diiodobenzene
CID 10958978
2,6-difluorophenolate
CID 18433948
(2,6-difluorophenyl)alumane
CID 175341718
CID 95476507
CID 95476507
1-fluoro-2-iodo-3-methylsulfanylbenzene
CID 91881041
2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene
CID 15013079
bis(2,6-difluorophenol);zirconium
CID 161409047
1-(3-fluoro-2-methylsulfanylphenyl)cyclopropan-1-amine
CID 117287337

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl) thiohypoiodite?
The IUPAC name of (2,6-difluorophenyl) thiohypoiodite (CID 146181225) is (2,6-difluorophenyl) thiohypoiodite.
What is the SMILES notation for (2,6-difluorophenyl) thiohypoiodite?
The canonical SMILES for (2,6-difluorophenyl) thiohypoiodite is Fc1cccc(F)c1SI.
What is the InChIKey of (2,6-difluorophenyl) thiohypoiodite?
The InChIKey is QUOWJIOKBPOZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F2IS/c7-4-2-1-3-5(8)6(4)10-9/h1-3H.
What are the key properties of (2,6-difluorophenyl) thiohypoiodite?
(2,6-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 (2,6-difluorophenyl) thiohypoiodite is sourced from PubChem (CID 146181225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).