(4-hydroxy-2-iodo-3-nitrophenyl) thiohypofluorite

C6H3FINO3S — CID 22763524

IUPAC(4-hydroxy-2-iodo-3-nitrophenyl) thiohypofluorite
SMILESO=[N+]([O-])c1c(O)ccc(SF)c1I
InChIInChI=1S/C6H3FINO3S/c7-13-4-2-1-3(10)6(5(4)8)9(11)12/h1-2,10H
InChIKeyGXTIUTSWXIVUSQ-UHFFFAOYSA-N
MW315.06 g/mol
LogP2.88
Rot. Bonds2

About (4-hydroxy-2-iodo-3-nitrophenyl) thiohypofluorite

(4-hydroxy-2-iodo-3-nitrophenyl) thiohypofluorite (PubChem CID 22763524) has the molecular formula C6H3FINO3S and a molecular weight of 315.06 g/mol. Its IUPAC name is (4-hydroxy-2-iodo-3-nitrophenyl) thiohypofluorite.

Molecular Properties

Compound Name(4-hydroxy-2-iodo-3-nitrophenyl) thiohypofluorite
PubChem CID22763524
Molecular FormulaC6H3FINO3S
Molecular Weight315.06 g/mol
Exact Mass314.89
IUPAC Name(4-hydroxy-2-iodo-3-nitrophenyl) thiohypofluorite
SMILESO=[N+]([O-])c1c(O)ccc(SF)c1I
InChIInChI=1S/C6H3FINO3S/c7-13-4-2-1-3(10)6(5(4)8)9(11)12/h1-2,10H
InChIKeyGXTIUTSWXIVUSQ-UHFFFAOYSA-N
XLogP2.88
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.06
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-iodo-3-nitrophenyl) thiohypofluorite?
The IUPAC name of (4-hydroxy-2-iodo-3-nitrophenyl) thiohypofluorite (CID 22763524) is (4-hydroxy-2-iodo-3-nitrophenyl) thiohypofluorite.
What is the SMILES notation for (4-hydroxy-2-iodo-3-nitrophenyl) thiohypofluorite?
The canonical SMILES for (4-hydroxy-2-iodo-3-nitrophenyl) thiohypofluorite is O=[N+]([O-])c1c(O)ccc(SF)c1I.
What is the InChIKey of (4-hydroxy-2-iodo-3-nitrophenyl) thiohypofluorite?
The InChIKey is GXTIUTSWXIVUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FINO3S/c7-13-4-2-1-3(10)6(5(4)8)9(11)12/h1-2,10H.
What are the key properties of (4-hydroxy-2-iodo-3-nitrophenyl) thiohypofluorite?
(4-hydroxy-2-iodo-3-nitrophenyl) thiohypofluorite has a molecular weight of 315.06 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-iodo-3-nitrophenyl) thiohypofluorite is sourced from PubChem (CID 22763524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).