potassium (5-bromo-1-benzothiophen-2-yl)-trifluoroboranuide

C8H4BBrF3KS — CID 45479884

IUPACpotassium (5-bromo-1-benzothiophen-2-yl)-trifluoroboranuide
SMILESF[B-](F)(F)c1cc2cc(Br)ccc2s1.[K+]
InChIInChI=1S/C8H4BBrF3S.K/c10-6-1-2-7-5(3-6)4-8(14-7)9(11,12)13;/h1-4H;/q-1;+1
InChIKeyPOBCRXCZRVRBAO-UHFFFAOYSA-N
MW319.00 g/mol
LogP0.72
Rot. Bonds1

About potassium (5-bromo-1-benzothiophen-2-yl)-trifluoroboranuide

potassium (5-bromo-1-benzothiophen-2-yl)-trifluoroboranuide (PubChem CID 45479884) has the molecular formula C8H4BBrF3KS and a molecular weight of 319.00 g/mol. Its IUPAC name is potassium (5-bromo-1-benzothiophen-2-yl)-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (5-bromo-1-benzothiophen-2-yl)-trifluoroboranuide
PubChem CID45479884
Molecular FormulaC8H4BBrF3KS
Molecular Weight319.00 g/mol
Exact Mass317.89
IUPAC Namepotassium (5-bromo-1-benzothiophen-2-yl)-trifluoroboranuide
SMILESF[B-](F)(F)c1cc2cc(Br)ccc2s1.[K+]
InChIInChI=1S/C8H4BBrF3S.K/c10-6-1-2-7-5(3-6)4-8(14-7)9(11,12)13;/h1-4H;/q-1;+1
InChIKeyPOBCRXCZRVRBAO-UHFFFAOYSA-N
XLogP0.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.00
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium (5-bromo-1-benzothiophen-2-yl)-trifluoroboranuide?
The IUPAC name of potassium (5-bromo-1-benzothiophen-2-yl)-trifluoroboranuide (CID 45479884) is potassium (5-bromo-1-benzothiophen-2-yl)-trifluoroboranuide.
What is the SMILES notation for potassium (5-bromo-1-benzothiophen-2-yl)-trifluoroboranuide?
The canonical SMILES for potassium (5-bromo-1-benzothiophen-2-yl)-trifluoroboranuide is F[B-](F)(F)c1cc2cc(Br)ccc2s1.[K+].
What is the InChIKey of potassium (5-bromo-1-benzothiophen-2-yl)-trifluoroboranuide?
The InChIKey is POBCRXCZRVRBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BBrF3S.K/c10-6-1-2-7-5(3-6)4-8(14-7)9(11,12)13;/h1-4H;/q-1;+1.
What are the key properties of potassium (5-bromo-1-benzothiophen-2-yl)-trifluoroboranuide?
potassium (5-bromo-1-benzothiophen-2-yl)-trifluoroboranuide has a molecular weight of 319.00 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (5-bromo-1-benzothiophen-2-yl)-trifluoroboranuide is sourced from PubChem (CID 45479884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).