potassium trifluoro(2-thiophen-2-ylethyl)boranuide

C6H7BF3KS — CID 63774872

IUPACpotassium trifluoro(2-thiophen-2-ylethyl)boranuide
SMILESF[B-](F)(F)CCc1cccs1.[K+]
InChIInChI=1S/C6H7BF3S.K/c8-7(9,10)4-3-6-2-1-5-11-6;/h1-2,5H,3-4H2;/q-1;+1
InChIKeyYVFZKOFICOYENH-UHFFFAOYSA-N
MW218.09 g/mol
LogP0.14
Rot. Bonds3

About potassium trifluoro(2-thiophen-2-ylethyl)boranuide

potassium trifluoro(2-thiophen-2-ylethyl)boranuide (PubChem CID 63774872) has the molecular formula C6H7BF3KS and a molecular weight of 218.09 g/mol. Its IUPAC name is potassium trifluoro(2-thiophen-2-ylethyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro(2-thiophen-2-ylethyl)boranuide
PubChem CID63774872
Molecular FormulaC6H7BF3KS
Molecular Weight218.09 g/mol
Exact Mass218.00
IUPAC Namepotassium trifluoro(2-thiophen-2-ylethyl)boranuide
SMILESF[B-](F)(F)CCc1cccs1.[K+]
InChIInChI=1S/C6H7BF3S.K/c8-7(9,10)4-3-6-2-1-5-11-6;/h1-2,5H,3-4H2;/q-1;+1
InChIKeyYVFZKOFICOYENH-UHFFFAOYSA-N
XLogP0.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 59269201
CID 59269201
2-thiophen-2-ylethoxysilane
CID 154346669
2-(4-fluorobutyl)thiophene
CID 67851736
2-(4-thiophen-2-ylbut-2-ynyl)thiophene
CID 102075129
4-thiophen-2-ylbut-1-yn-1-ol
CID 67361922
3-thiophen-2-ylpropan-1-ol
CID 13109866
molecular hydrogen;2-thiophen-2-ylethanamine
CID 142393573
2-(bromomethyl)thiophene
CID 11829978
ethane;2-pentylthiophene
CID 143883800
2-(5-chloropentyl)thiophene
CID 4912993
2-butylthiophene;methanamine
CID 143080300
20-thiophen-2-ylicosane-1-thiol
CID 15444594

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro(2-thiophen-2-ylethyl)boranuide?
The IUPAC name of potassium trifluoro(2-thiophen-2-ylethyl)boranuide (CID 63774872) is potassium trifluoro(2-thiophen-2-ylethyl)boranuide.
What is the SMILES notation for potassium trifluoro(2-thiophen-2-ylethyl)boranuide?
The canonical SMILES for potassium trifluoro(2-thiophen-2-ylethyl)boranuide is F[B-](F)(F)CCc1cccs1.[K+].
What is the InChIKey of potassium trifluoro(2-thiophen-2-ylethyl)boranuide?
The InChIKey is YVFZKOFICOYENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BF3S.K/c8-7(9,10)4-3-6-2-1-5-11-6;/h1-2,5H,3-4H2;/q-1;+1.
What are the key properties of potassium trifluoro(2-thiophen-2-ylethyl)boranuide?
potassium trifluoro(2-thiophen-2-ylethyl)boranuide has a molecular weight of 218.09 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro(2-thiophen-2-ylethyl)boranuide is sourced from PubChem (CID 63774872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).