potassium (1-ethylimidazol-2-yl)-trifluoroboranuide

C5H7BF3KN2 — CID 63974116

IUPACpotassium (1-ethylimidazol-2-yl)-trifluoroboranuide
SMILESCCn1ccnc1[B-](F)(F)F.[K+]
InChIInChI=1S/C5H7BF3N2.K/c1-2-11-4-3-10-5(11)6(7,8)9;/h3-4H,2H2,1H3;/q-1;+1
InChIKeyMZVKHCRVZSDOLU-UHFFFAOYSA-N
MW202.03 g/mol
LogP-2.04
Rot. Bonds2

About potassium (1-ethylimidazol-2-yl)-trifluoroboranuide

potassium (1-ethylimidazol-2-yl)-trifluoroboranuide (PubChem CID 63974116) has the molecular formula C5H7BF3KN2 and a molecular weight of 202.03 g/mol. Its IUPAC name is potassium (1-ethylimidazol-2-yl)-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (1-ethylimidazol-2-yl)-trifluoroboranuide
PubChem CID63974116
Molecular FormulaC5H7BF3KN2
Molecular Weight202.03 g/mol
Exact Mass202.03
IUPAC Namepotassium (1-ethylimidazol-2-yl)-trifluoroboranuide
SMILESCCn1ccnc1[B-](F)(F)F.[K+]
InChIInChI=1S/C5H7BF3N2.K/c1-2-11-4-3-10-5(11)6(7,8)9;/h3-4H,2H2,1H3;/q-1;+1
InChIKeyMZVKHCRVZSDOLU-UHFFFAOYSA-N
XLogP-2.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.03
LogP ≤ 5-2.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (1-ethylimidazol-2-yl)-trifluoroboranuide?
The IUPAC name of potassium (1-ethylimidazol-2-yl)-trifluoroboranuide (CID 63974116) is potassium (1-ethylimidazol-2-yl)-trifluoroboranuide.
What is the SMILES notation for potassium (1-ethylimidazol-2-yl)-trifluoroboranuide?
The canonical SMILES for potassium (1-ethylimidazol-2-yl)-trifluoroboranuide is CCn1ccnc1[B-](F)(F)F.[K+].
What is the InChIKey of potassium (1-ethylimidazol-2-yl)-trifluoroboranuide?
The InChIKey is MZVKHCRVZSDOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BF3N2.K/c1-2-11-4-3-10-5(11)6(7,8)9;/h3-4H,2H2,1H3;/q-1;+1.
What are the key properties of potassium (1-ethylimidazol-2-yl)-trifluoroboranuide?
potassium (1-ethylimidazol-2-yl)-trifluoroboranuide has a molecular weight of 202.03 g/mol, XLogP of -2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (1-ethylimidazol-2-yl)-trifluoroboranuide is sourced from PubChem (CID 63974116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).