[fluoro(imidazol-1-yl)methyl] thiohypoiodite

C4H4FIN2S — CID 162294991

IUPAC[fluoro(imidazol-1-yl)methyl] thiohypoiodite
SMILESFC(SI)n1ccnc1
InChIInChI=1S/C4H4FIN2S/c5-4(9-6)8-2-1-7-3-8/h1-4H
InChIKeyKLWMPAHHHQAREY-UHFFFAOYSA-N
MW258.06 g/mol
LogP2.39
Rot. Bonds2

About [fluoro(imidazol-1-yl)methyl] thiohypoiodite

[fluoro(imidazol-1-yl)methyl] thiohypoiodite (PubChem CID 162294991) has the molecular formula C4H4FIN2S and a molecular weight of 258.06 g/mol. Its IUPAC name is [fluoro(imidazol-1-yl)methyl] thiohypoiodite.

Molecular Properties

Compound Name[fluoro(imidazol-1-yl)methyl] thiohypoiodite
PubChem CID162294991
Molecular FormulaC4H4FIN2S
Molecular Weight258.06 g/mol
Exact Mass257.91
IUPAC Name[fluoro(imidazol-1-yl)methyl] thiohypoiodite
SMILESFC(SI)n1ccnc1
InChIInChI=1S/C4H4FIN2S/c5-4(9-6)8-2-1-7-3-8/h1-4H
InChIKeyKLWMPAHHHQAREY-UHFFFAOYSA-N
XLogP2.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(dibromomethyl)imidazole
CID 175175892
1-(1-chloroethyl)imidazole
CID 22400425
ethane;methane;1-propan-2-ylimidazole
CID 159501500
1-imidazol-1-ylethanol
CID 18366448
1-imidazol-1-yl-N,N-dimethylethanamine
CID 123720804
ethyl 2-fluoro-2-imidazol-1-ylacetate
CID 79885931
carbonic acid;1-propan-2-ylimidazole
CID 175084414
1-(1-nitrosoethyl)imidazole
CID 54257439
1-[chloro(ethylsulfanyl)methyl]imidazole;hydrochloride
CID 67670241
1-but-3-yn-2-ylimidazole tetrafluoroborate
CID 175233094
2-imidazol-1-ylpropanoic acid
CID 16788764
1-(3-ethylpentan-2-yl)imidazole
CID 174620112

Frequently Asked Questions

What is the IUPAC name of [fluoro(imidazol-1-yl)methyl] thiohypoiodite?
The IUPAC name of [fluoro(imidazol-1-yl)methyl] thiohypoiodite (CID 162294991) is [fluoro(imidazol-1-yl)methyl] thiohypoiodite.
What is the SMILES notation for [fluoro(imidazol-1-yl)methyl] thiohypoiodite?
The canonical SMILES for [fluoro(imidazol-1-yl)methyl] thiohypoiodite is FC(SI)n1ccnc1.
What is the InChIKey of [fluoro(imidazol-1-yl)methyl] thiohypoiodite?
The InChIKey is KLWMPAHHHQAREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FIN2S/c5-4(9-6)8-2-1-7-3-8/h1-4H.
What are the key properties of [fluoro(imidazol-1-yl)methyl] thiohypoiodite?
[fluoro(imidazol-1-yl)methyl] thiohypoiodite has a molecular weight of 258.06 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoro(imidazol-1-yl)methyl] thiohypoiodite is sourced from PubChem (CID 162294991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).