potassium (4-ethylthiophen-2-yl)-trifluoroboranuide

C6H7BF3KS — CID 118703483

IUPACpotassium (4-ethylthiophen-2-yl)-trifluoroboranuide
SMILESCCc1csc([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C6H7BF3S.K/c1-2-5-3-6(11-4-5)7(8,9)10;/h3-4H,2H2,1H3;/q-1;+1
InChIKeyKAAAAHOGUUCGEA-UHFFFAOYSA-N
MW218.09 g/mol
LogP-0.63
Rot. Bonds2

About potassium (4-ethylthiophen-2-yl)-trifluoroboranuide

potassium (4-ethylthiophen-2-yl)-trifluoroboranuide (PubChem CID 118703483) has the molecular formula C6H7BF3KS and a molecular weight of 218.09 g/mol. Its IUPAC name is potassium (4-ethylthiophen-2-yl)-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (4-ethylthiophen-2-yl)-trifluoroboranuide
PubChem CID118703483
Molecular FormulaC6H7BF3KS
Molecular Weight218.09 g/mol
Exact Mass218.00
IUPAC Namepotassium (4-ethylthiophen-2-yl)-trifluoroboranuide
SMILESCCc1csc([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C6H7BF3S.K/c1-2-5-3-6(11-4-5)7(8,9)10;/h3-4H,2H2,1H3;/q-1;+1
InChIKeyKAAAAHOGUUCGEA-UHFFFAOYSA-N
XLogP-0.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 5-0.63
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 (4-ethylthiophen-2-yl)-trifluoroboranuide?
The IUPAC name of potassium (4-ethylthiophen-2-yl)-trifluoroboranuide (CID 118703483) is potassium (4-ethylthiophen-2-yl)-trifluoroboranuide.
What is the SMILES notation for potassium (4-ethylthiophen-2-yl)-trifluoroboranuide?
The canonical SMILES for potassium (4-ethylthiophen-2-yl)-trifluoroboranuide is CCc1csc([B-](F)(F)F)c1.[K+].
What is the InChIKey of potassium (4-ethylthiophen-2-yl)-trifluoroboranuide?
The InChIKey is KAAAAHOGUUCGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BF3S.K/c1-2-5-3-6(11-4-5)7(8,9)10;/h3-4H,2H2,1H3;/q-1;+1.
What are the key properties of potassium (4-ethylthiophen-2-yl)-trifluoroboranuide?
potassium (4-ethylthiophen-2-yl)-trifluoroboranuide has a molecular weight of 218.09 g/mol, XLogP of -0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (4-ethylthiophen-2-yl)-trifluoroboranuide is sourced from PubChem (CID 118703483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).