[5-bromo-2-(bromomethyl)phenyl] thiohypofluorite

C7H5Br2FS — CID 145206756

IUPAC[5-bromo-2-(bromomethyl)phenyl] thiohypofluorite
SMILESFSc1cc(Br)ccc1CBr
InChIInChI=1S/C7H5Br2FS/c8-4-5-1-2-6(9)3-7(5)11-10/h1-3H,4H2
InChIKeyMONKGZIYHFXFBS-UHFFFAOYSA-N
MW299.99 g/mol
LogP4.32
Rot. Bonds2

About [5-bromo-2-(bromomethyl)phenyl] thiohypofluorite

[5-bromo-2-(bromomethyl)phenyl] thiohypofluorite (PubChem CID 145206756) has the molecular formula C7H5Br2FS and a molecular weight of 299.99 g/mol. Its IUPAC name is [5-bromo-2-(bromomethyl)phenyl] thiohypofluorite.

Molecular Properties

Compound Name[5-bromo-2-(bromomethyl)phenyl] thiohypofluorite
PubChem CID145206756
Molecular FormulaC7H5Br2FS
Molecular Weight299.99 g/mol
Exact Mass297.85
IUPAC Name[5-bromo-2-(bromomethyl)phenyl] thiohypofluorite
SMILESFSc1cc(Br)ccc1CBr
InChIInChI=1S/C7H5Br2FS/c8-4-5-1-2-6(9)3-7(5)11-10/h1-3H,4H2
InChIKeyMONKGZIYHFXFBS-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.99
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(bromomethyl)phenyl] thiohypofluorite?
The IUPAC name of [5-bromo-2-(bromomethyl)phenyl] thiohypofluorite (CID 145206756) is [5-bromo-2-(bromomethyl)phenyl] thiohypofluorite.
What is the SMILES notation for [5-bromo-2-(bromomethyl)phenyl] thiohypofluorite?
The canonical SMILES for [5-bromo-2-(bromomethyl)phenyl] thiohypofluorite is FSc1cc(Br)ccc1CBr.
What is the InChIKey of [5-bromo-2-(bromomethyl)phenyl] thiohypofluorite?
The InChIKey is MONKGZIYHFXFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2FS/c8-4-5-1-2-6(9)3-7(5)11-10/h1-3H,4H2.
What are the key properties of [5-bromo-2-(bromomethyl)phenyl] thiohypofluorite?
[5-bromo-2-(bromomethyl)phenyl] thiohypofluorite has a molecular weight of 299.99 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(bromomethyl)phenyl] thiohypofluorite is sourced from PubChem (CID 145206756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).