potassium trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide

C9H15BF3KO — CID 167716796

IUPACpotassium trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide
SMILESOC1CC([B-](F)(F)F)C12CCCCC2.[K+]
InChIInChI=1S/C9H15BF3O.K/c11-10(12,13)7-6-8(14)9(7)4-2-1-3-5-9;/h7-8,14H,1-6H2;/q-1;+1
InChIKeyBZJFODGVNFLOTB-UHFFFAOYSA-N
MW246.12 g/mol
LogP-0.08
Rot. Bonds1

About potassium trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide

potassium trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide (PubChem CID 167716796) has the molecular formula C9H15BF3KO and a molecular weight of 246.12 g/mol. Its IUPAC name is potassium trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide
PubChem CID167716796
Molecular FormulaC9H15BF3KO
Molecular Weight246.12 g/mol
Exact Mass246.08
IUPAC Namepotassium trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide
SMILESOC1CC([B-](F)(F)F)C12CCCCC2.[K+]
InChIInChI=1S/C9H15BF3O.K/c11-10(12,13)7-6-8(14)9(7)4-2-1-3-5-9;/h7-8,14H,1-6H2;/q-1;+1
InChIKeyBZJFODGVNFLOTB-UHFFFAOYSA-N
XLogP-0.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze potassium trifluoro-(3-hydroxyspiro[3.5]nonan-1-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-hydroxyspiro[3.5]nonan-1-yl)boranuide?
The IUPAC name of potassium trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide (CID 167716796) is potassium trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide.
What is the SMILES notation for potassium trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide?
The canonical SMILES for potassium trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide is OC1CC([B-](F)(F)F)C12CCCCC2.[K+].
What is the InChIKey of potassium trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide?
The InChIKey is BZJFODGVNFLOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BF3O.K/c11-10(12,13)7-6-8(14)9(7)4-2-1-3-5-9;/h7-8,14H,1-6H2;/q-1;+1.
What are the key properties of potassium trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide?
potassium trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide has a molecular weight of 246.12 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide is sourced from PubChem (CID 167716796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).