potassium trifluoro-(2-formyl-1-benzothiophen-7-yl)boranuide

C9H5BF3KOS — CID 167729198

IUPACpotassium trifluoro-(2-formyl-1-benzothiophen-7-yl)boranuide
SMILESO=Cc1cc2cccc([B-](F)(F)F)c2s1.[K+]
InChIInChI=1S/C9H5BF3OS.K/c11-10(12,13)8-3-1-2-6-4-7(5-14)15-9(6)8;/h1-5H;/q-1;+1
InChIKeyAWCDQLIPLJXCBU-UHFFFAOYSA-N
MW268.11 g/mol
LogP-0.23
Rot. Bonds2

About potassium trifluoro-(2-formyl-1-benzothiophen-7-yl)boranuide

potassium trifluoro-(2-formyl-1-benzothiophen-7-yl)boranuide (PubChem CID 167729198) has the molecular formula C9H5BF3KOS and a molecular weight of 268.11 g/mol. Its IUPAC name is potassium trifluoro-(2-formyl-1-benzothiophen-7-yl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro-(2-formyl-1-benzothiophen-7-yl)boranuide
PubChem CID167729198
Molecular FormulaC9H5BF3KOS
Molecular Weight268.11 g/mol
Exact Mass267.97
IUPAC Namepotassium trifluoro-(2-formyl-1-benzothiophen-7-yl)boranuide
SMILESO=Cc1cc2cccc([B-](F)(F)F)c2s1.[K+]
InChIInChI=1S/C9H5BF3OS.K/c11-10(12,13)8-3-1-2-6-4-7(5-14)15-9(6)8;/h1-5H;/q-1;+1
InChIKeyAWCDQLIPLJXCBU-UHFFFAOYSA-N
XLogP-0.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze potassium trifluoro-(2-formyl-1-benzothiophen-7-yl)boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-(2-formyl-1-benzothiophen-7-yl)boranuide?
The IUPAC name of potassium trifluoro-(2-formyl-1-benzothiophen-7-yl)boranuide (CID 167729198) is potassium trifluoro-(2-formyl-1-benzothiophen-7-yl)boranuide.
What is the SMILES notation for potassium trifluoro-(2-formyl-1-benzothiophen-7-yl)boranuide?
The canonical SMILES for potassium trifluoro-(2-formyl-1-benzothiophen-7-yl)boranuide is O=Cc1cc2cccc([B-](F)(F)F)c2s1.[K+].
What is the InChIKey of potassium trifluoro-(2-formyl-1-benzothiophen-7-yl)boranuide?
The InChIKey is AWCDQLIPLJXCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BF3OS.K/c11-10(12,13)8-3-1-2-6-4-7(5-14)15-9(6)8;/h1-5H;/q-1;+1.
What are the key properties of potassium trifluoro-(2-formyl-1-benzothiophen-7-yl)boranuide?
potassium trifluoro-(2-formyl-1-benzothiophen-7-yl)boranuide has a molecular weight of 268.11 g/mol, XLogP of -0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-(2-formyl-1-benzothiophen-7-yl)boranuide is sourced from PubChem (CID 167729198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).