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

C7H13BF3KN2 — CID 56655983

IUPACpotassium trifluoro(3-piperazin-1-ylprop-1-en-2-yl)boranuide
SMILESC=C(CN1CCNCC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C7H13BF3N2.K/c1-7(8(9,10)11)6-13-4-2-12-3-5-13;/h12H,1-6H2;/q-1;+1
InChIKeyKXEMAYUSQKHORV-UHFFFAOYSA-N
MW232.10 g/mol
LogP-2.16
Rot. Bonds3

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

potassium trifluoro(3-piperazin-1-ylprop-1-en-2-yl)boranuide (PubChem CID 56655983) has the molecular formula C7H13BF3KN2 and a molecular weight of 232.10 g/mol. Its IUPAC name is potassium trifluoro(3-piperazin-1-ylprop-1-en-2-yl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro(3-piperazin-1-ylprop-1-en-2-yl)boranuide
PubChem CID56655983
Molecular FormulaC7H13BF3KN2
Molecular Weight232.10 g/mol
Exact Mass232.08
IUPAC Namepotassium trifluoro(3-piperazin-1-ylprop-1-en-2-yl)boranuide
SMILESC=C(CN1CCNCC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C7H13BF3N2.K/c1-7(8(9,10)11)6-13-4-2-12-3-5-13;/h12H,1-6H2;/q-1;+1
InChIKeyKXEMAYUSQKHORV-UHFFFAOYSA-N
XLogP-2.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 5-2.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze potassium trifluoro(3-piperazin-1-ylprop-1-en-2-yl)boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro(3-piperazin-1-ylprop-1-en-2-yl)boranuide?
The IUPAC name of potassium trifluoro(3-piperazin-1-ylprop-1-en-2-yl)boranuide (CID 56655983) is potassium trifluoro(3-piperazin-1-ylprop-1-en-2-yl)boranuide.
What is the SMILES notation for potassium trifluoro(3-piperazin-1-ylprop-1-en-2-yl)boranuide?
The canonical SMILES for potassium trifluoro(3-piperazin-1-ylprop-1-en-2-yl)boranuide is C=C(CN1CCNCC1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro(3-piperazin-1-ylprop-1-en-2-yl)boranuide?
The InChIKey is KXEMAYUSQKHORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BF3N2.K/c1-7(8(9,10)11)6-13-4-2-12-3-5-13;/h12H,1-6H2;/q-1;+1.
What are the key properties of potassium trifluoro(3-piperazin-1-ylprop-1-en-2-yl)boranuide?
potassium trifluoro(3-piperazin-1-ylprop-1-en-2-yl)boranuide has a molecular weight of 232.10 g/mol, XLogP of -2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro(3-piperazin-1-ylprop-1-en-2-yl)boranuide is sourced from PubChem (CID 56655983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).