potassium trifluoro(3-imidazol-1-ylprop-1-en-2-yl)boranuide

C6H7BF3KN2 — CID 106746319

IUPACpotassium trifluoro(3-imidazol-1-ylprop-1-en-2-yl)boranuide
SMILESC=C(Cn1ccnc1)[B-](F)(F)F.[K+]
InChIInChI=1S/C6H7BF3N2.K/c1-6(7(8,9)10)4-12-3-2-11-5-12;/h2-3,5H,1,4H2;/q-1;+1
InChIKeyVQBYXCJOAKRZFT-UHFFFAOYSA-N
MW214.04 g/mol
LogP-1.17
Rot. Bonds3

About potassium trifluoro(3-imidazol-1-ylprop-1-en-2-yl)boranuide

potassium trifluoro(3-imidazol-1-ylprop-1-en-2-yl)boranuide (PubChem CID 106746319) has the molecular formula C6H7BF3KN2 and a molecular weight of 214.04 g/mol. Its IUPAC name is potassium trifluoro(3-imidazol-1-ylprop-1-en-2-yl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro(3-imidazol-1-ylprop-1-en-2-yl)boranuide
PubChem CID106746319
Molecular FormulaC6H7BF3KN2
Molecular Weight214.04 g/mol
Exact Mass214.03
IUPAC Namepotassium trifluoro(3-imidazol-1-ylprop-1-en-2-yl)boranuide
SMILESC=C(Cn1ccnc1)[B-](F)(F)F.[K+]
InChIInChI=1S/C6H7BF3N2.K/c1-6(7(8,9)10)4-12-3-2-11-5-12;/h2-3,5H,1,4H2;/q-1;+1
InChIKeyVQBYXCJOAKRZFT-UHFFFAOYSA-N
XLogP-1.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.04
LogP ≤ 5-1.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-2-imidazol-1-ylethanimidamide
CID 24705664
1-[2-(4-chlorophenyl)prop-2-enyl]imidazole
CID 71322821
1-imidazol-1-yl-3,3,5,5-tetramethylhexan-2-one
CID 13269102
ethane;2-imidazol-1-yl-N,N-dimethylacetamide
CID 171641946
2-imidazol-1-ylethanol
CID 159023310
1-(2,2,2-trifluoroethyl)imidazole
CID 13288518
imidazol-1-ylmethylcarbamic acid
CID 175455215
1-imidazol-1-yl-3-methylbutan-2-ol
CID 22324700
phosphane;1-prop-2-enylimidazole
CID 174916196
copper;1-ethylimidazole
CID 118057388
1-ethylimidazole;hydroiodide
CID 66751695
1-(1-chlorocyclopropyl)-2-imidazol-1-ylethanone
CID 174883064

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro(3-imidazol-1-ylprop-1-en-2-yl)boranuide?
The IUPAC name of potassium trifluoro(3-imidazol-1-ylprop-1-en-2-yl)boranuide (CID 106746319) is potassium trifluoro(3-imidazol-1-ylprop-1-en-2-yl)boranuide.
What is the SMILES notation for potassium trifluoro(3-imidazol-1-ylprop-1-en-2-yl)boranuide?
The canonical SMILES for potassium trifluoro(3-imidazol-1-ylprop-1-en-2-yl)boranuide is C=C(Cn1ccnc1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro(3-imidazol-1-ylprop-1-en-2-yl)boranuide?
The InChIKey is VQBYXCJOAKRZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BF3N2.K/c1-6(7(8,9)10)4-12-3-2-11-5-12;/h2-3,5H,1,4H2;/q-1;+1.
What are the key properties of potassium trifluoro(3-imidazol-1-ylprop-1-en-2-yl)boranuide?
potassium trifluoro(3-imidazol-1-ylprop-1-en-2-yl)boranuide has a molecular weight of 214.04 g/mol, XLogP of -1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro(3-imidazol-1-ylprop-1-en-2-yl)boranuide is sourced from PubChem (CID 106746319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).