[5-bromo-2-(trifluoromethoxy)phenyl] thiohypochlorite

C7H3BrClF3OS — CID 168963453

IUPAC[5-bromo-2-(trifluoromethoxy)phenyl] thiohypochlorite
SMILESFC(F)(F)Oc1ccc(Br)cc1SCl
InChIInChI=1S/C7H3BrClF3OS/c8-4-1-2-5(6(3-4)14-9)13-7(10,11)12/h1-3H
InChIKeyBBOHESDTIKPENG-UHFFFAOYSA-N
MW307.52 g/mol
LogP4.59
Rot. Bonds2

About [5-bromo-2-(trifluoromethoxy)phenyl] thiohypochlorite

[5-bromo-2-(trifluoromethoxy)phenyl] thiohypochlorite (PubChem CID 168963453) has the molecular formula C7H3BrClF3OS and a molecular weight of 307.52 g/mol. Its IUPAC name is [5-bromo-2-(trifluoromethoxy)phenyl] thiohypochlorite.

Molecular Properties

Compound Name[5-bromo-2-(trifluoromethoxy)phenyl] thiohypochlorite
PubChem CID168963453
Molecular FormulaC7H3BrClF3OS
Molecular Weight307.52 g/mol
Exact Mass305.87
IUPAC Name[5-bromo-2-(trifluoromethoxy)phenyl] thiohypochlorite
SMILESFC(F)(F)Oc1ccc(Br)cc1SCl
InChIInChI=1S/C7H3BrClF3OS/c8-4-1-2-5(6(3-4)14-9)13-7(10,11)12/h1-3H
InChIKeyBBOHESDTIKPENG-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.52
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(trifluoromethoxy)phenyl] thiohypochlorite?
The IUPAC name of [5-bromo-2-(trifluoromethoxy)phenyl] thiohypochlorite (CID 168963453) is [5-bromo-2-(trifluoromethoxy)phenyl] thiohypochlorite.
What is the SMILES notation for [5-bromo-2-(trifluoromethoxy)phenyl] thiohypochlorite?
The canonical SMILES for [5-bromo-2-(trifluoromethoxy)phenyl] thiohypochlorite is FC(F)(F)Oc1ccc(Br)cc1SCl.
What is the InChIKey of [5-bromo-2-(trifluoromethoxy)phenyl] thiohypochlorite?
The InChIKey is BBOHESDTIKPENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF3OS/c8-4-1-2-5(6(3-4)14-9)13-7(10,11)12/h1-3H.
What are the key properties of [5-bromo-2-(trifluoromethoxy)phenyl] thiohypochlorite?
[5-bromo-2-(trifluoromethoxy)phenyl] thiohypochlorite has a molecular weight of 307.52 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(trifluoromethoxy)phenyl] thiohypochlorite is sourced from PubChem (CID 168963453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).