potassium [cyclopropyl(2-hydroxyethyl)amino]methyl-trifluoroboranuide

C6H12BF3KNO — CID 63704656

IUPACpotassium [cyclopropyl(2-hydroxyethyl)amino]methyl-trifluoroboranuide
SMILESOCCN(C[B-](F)(F)F)C1CC1.[K+]
InChIInChI=1S/C6H12BF3NO.K/c8-7(9,10)5-11(3-4-12)6-1-2-6;/h6,12H,1-5H2;/q-1;+1
InChIKeyXUWQRPONXQDTAE-UHFFFAOYSA-N
MW221.07 g/mol
LogP-2.17
Rot. Bonds5

About potassium [cyclopropyl(2-hydroxyethyl)amino]methyl-trifluoroboranuide

potassium [cyclopropyl(2-hydroxyethyl)amino]methyl-trifluoroboranuide (PubChem CID 63704656) has the molecular formula C6H12BF3KNO and a molecular weight of 221.07 g/mol. Its IUPAC name is potassium [cyclopropyl(2-hydroxyethyl)amino]methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [cyclopropyl(2-hydroxyethyl)amino]methyl-trifluoroboranuide
PubChem CID63704656
Molecular FormulaC6H12BF3KNO
Molecular Weight221.07 g/mol
Exact Mass221.06
IUPAC Namepotassium [cyclopropyl(2-hydroxyethyl)amino]methyl-trifluoroboranuide
SMILESOCCN(C[B-](F)(F)F)C1CC1.[K+]
InChIInChI=1S/C6H12BF3NO.K/c8-7(9,10)5-11(3-4-12)6-1-2-6;/h6,12H,1-5H2;/q-1;+1
InChIKeyXUWQRPONXQDTAE-UHFFFAOYSA-N
XLogP-2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.07
LogP ≤ 5-2.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze potassium [cyclopropyl(2-hydroxyethyl)amino]methyl-trifluoroboranuide 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 [cyclopropyl(2-hydroxyethyl)amino]methyl-trifluoroboranuide?
The IUPAC name of potassium [cyclopropyl(2-hydroxyethyl)amino]methyl-trifluoroboranuide (CID 63704656) is potassium [cyclopropyl(2-hydroxyethyl)amino]methyl-trifluoroboranuide.
What is the SMILES notation for potassium [cyclopropyl(2-hydroxyethyl)amino]methyl-trifluoroboranuide?
The canonical SMILES for potassium [cyclopropyl(2-hydroxyethyl)amino]methyl-trifluoroboranuide is OCCN(C[B-](F)(F)F)C1CC1.[K+].
What is the InChIKey of potassium [cyclopropyl(2-hydroxyethyl)amino]methyl-trifluoroboranuide?
The InChIKey is XUWQRPONXQDTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BF3NO.K/c8-7(9,10)5-11(3-4-12)6-1-2-6;/h6,12H,1-5H2;/q-1;+1.
What are the key properties of potassium [cyclopropyl(2-hydroxyethyl)amino]methyl-trifluoroboranuide?
potassium [cyclopropyl(2-hydroxyethyl)amino]methyl-trifluoroboranuide has a molecular weight of 221.07 g/mol, XLogP of -2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [cyclopropyl(2-hydroxyethyl)amino]methyl-trifluoroboranuide is sourced from PubChem (CID 63704656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).