potassium trifluoro-(5-formylthiophen-2-yl)boranuide

C5H3BF3KOS — CID 45479878

IUPACpotassium trifluoro-(5-formylthiophen-2-yl)boranuide
SMILESO=Cc1ccc([B-](F)(F)F)s1.[K+]
InChIInChI=1S/C5H3BF3OS.K/c7-6(8,9)5-2-1-4(3-10)11-5;/h1-3H;/q-1;+1
InChIKeyXERVPXDMNWPUFB-UHFFFAOYSA-N
MW218.05 g/mol
LogP-1.38
Rot. Bonds2

About potassium trifluoro-(5-formylthiophen-2-yl)boranuide

potassium trifluoro-(5-formylthiophen-2-yl)boranuide (PubChem CID 45479878) has the molecular formula C5H3BF3KOS and a molecular weight of 218.05 g/mol. Its IUPAC name is potassium trifluoro-(5-formylthiophen-2-yl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro-(5-formylthiophen-2-yl)boranuide
PubChem CID45479878
Molecular FormulaC5H3BF3KOS
Molecular Weight218.05 g/mol
Exact Mass217.96
IUPAC Namepotassium trifluoro-(5-formylthiophen-2-yl)boranuide
SMILESO=Cc1ccc([B-](F)(F)F)s1.[K+]
InChIInChI=1S/C5H3BF3OS.K/c7-6(8,9)5-2-1-4(3-10)11-5;/h1-3H;/q-1;+1
InChIKeyXERVPXDMNWPUFB-UHFFFAOYSA-N
XLogP-1.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 5-1.38
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'}

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Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-(5-formylthiophen-2-yl)boranuide?
The IUPAC name of potassium trifluoro-(5-formylthiophen-2-yl)boranuide (CID 45479878) is potassium trifluoro-(5-formylthiophen-2-yl)boranuide.
What is the SMILES notation for potassium trifluoro-(5-formylthiophen-2-yl)boranuide?
The canonical SMILES for potassium trifluoro-(5-formylthiophen-2-yl)boranuide is O=Cc1ccc([B-](F)(F)F)s1.[K+].
What is the InChIKey of potassium trifluoro-(5-formylthiophen-2-yl)boranuide?
The InChIKey is XERVPXDMNWPUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BF3OS.K/c7-6(8,9)5-2-1-4(3-10)11-5;/h1-3H;/q-1;+1.
What are the key properties of potassium trifluoro-(5-formylthiophen-2-yl)boranuide?
potassium trifluoro-(5-formylthiophen-2-yl)boranuide has a molecular weight of 218.05 g/mol, XLogP of -1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-(5-formylthiophen-2-yl)boranuide is sourced from PubChem (CID 45479878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).