potassium trifluoro-[3-(2-propylpiperidin-1-yl)prop-1-en-2-yl]boranuide

C11H20BF3KN — CID 106746221

IUPACpotassium trifluoro-[3-(2-propylpiperidin-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCCCC1CCC)[B-](F)(F)F.[K+]
InChIInChI=1S/C11H20BF3N.K/c1-3-6-11-7-4-5-8-16(11)9-10(2)12(13,14)15;/h11H,2-9H2,1H3;/q-1;+1
InChIKeyFGHYUMJSJAJUMO-UHFFFAOYSA-N
MW273.19 g/mol
LogP0.59
Rot. Bonds5

About potassium trifluoro-[3-(2-propylpiperidin-1-yl)prop-1-en-2-yl]boranuide

potassium trifluoro-[3-(2-propylpiperidin-1-yl)prop-1-en-2-yl]boranuide (PubChem CID 106746221) has the molecular formula C11H20BF3KN and a molecular weight of 273.19 g/mol. Its IUPAC name is potassium trifluoro-[3-(2-propylpiperidin-1-yl)prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-(2-propylpiperidin-1-yl)prop-1-en-2-yl]boranuide
PubChem CID106746221
Molecular FormulaC11H20BF3KN
Molecular Weight273.19 g/mol
Exact Mass273.13
IUPAC Namepotassium trifluoro-[3-(2-propylpiperidin-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCCCC1CCC)[B-](F)(F)F.[K+]
InChIInChI=1S/C11H20BF3N.K/c1-3-6-11-7-4-5-8-16(11)9-10(2)12(13,14)15;/h11H,2-9H2,1H3;/q-1;+1
InChIKeyFGHYUMJSJAJUMO-UHFFFAOYSA-N
XLogP0.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze potassium trifluoro-[3-(2-propylpiperidin-1-yl)prop-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-(2-propylpiperidin-1-yl)prop-1-en-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[3-(2-propylpiperidin-1-yl)prop-1-en-2-yl]boranuide (CID 106746221) is potassium trifluoro-[3-(2-propylpiperidin-1-yl)prop-1-en-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-(2-propylpiperidin-1-yl)prop-1-en-2-yl]boranuide?
The canonical SMILES for potassium trifluoro-[3-(2-propylpiperidin-1-yl)prop-1-en-2-yl]boranuide is C=C(CN1CCCCC1CCC)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[3-(2-propylpiperidin-1-yl)prop-1-en-2-yl]boranuide?
The InChIKey is FGHYUMJSJAJUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BF3N.K/c1-3-6-11-7-4-5-8-16(11)9-10(2)12(13,14)15;/h11H,2-9H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[3-(2-propylpiperidin-1-yl)prop-1-en-2-yl]boranuide?
potassium trifluoro-[3-(2-propylpiperidin-1-yl)prop-1-en-2-yl]boranuide has a molecular weight of 273.19 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-(2-propylpiperidin-1-yl)prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).