potassium 3-(3-azaspiro[5.5]undecan-3-yl)prop-1-en-2-yl-trifluoroboranuide

C13H22BF3KN — CID 106746003

IUPACpotassium 3-(3-azaspiro[5.5]undecan-3-yl)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN1CCC2(CCCCC2)CC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C13H22BF3N.K/c1-12(14(15,16)17)11-18-9-7-13(8-10-18)5-3-2-4-6-13;/h1-11H2;/q-1;+1
InChIKeyLKWXKPXMISGWDD-UHFFFAOYSA-N
MW299.23 g/mol
LogP0.98
Rot. Bonds3

About potassium 3-(3-azaspiro[5.5]undecan-3-yl)prop-1-en-2-yl-trifluoroboranuide

potassium 3-(3-azaspiro[5.5]undecan-3-yl)prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106746003) has the molecular formula C13H22BF3KN and a molecular weight of 299.23 g/mol. Its IUPAC name is potassium 3-(3-azaspiro[5.5]undecan-3-yl)prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium 3-(3-azaspiro[5.5]undecan-3-yl)prop-1-en-2-yl-trifluoroboranuide
PubChem CID106746003
Molecular FormulaC13H22BF3KN
Molecular Weight299.23 g/mol
Exact Mass299.14
IUPAC Namepotassium 3-(3-azaspiro[5.5]undecan-3-yl)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN1CCC2(CCCCC2)CC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C13H22BF3N.K/c1-12(14(15,16)17)11-18-9-7-13(8-10-18)5-3-2-4-6-13;/h1-11H2;/q-1;+1
InChIKeyLKWXKPXMISGWDD-UHFFFAOYSA-N
XLogP0.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-(3-azaspiro[5.5]undecan-3-yl)prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of potassium 3-(3-azaspiro[5.5]undecan-3-yl)prop-1-en-2-yl-trifluoroboranuide (CID 106746003) is potassium 3-(3-azaspiro[5.5]undecan-3-yl)prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for potassium 3-(3-azaspiro[5.5]undecan-3-yl)prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for potassium 3-(3-azaspiro[5.5]undecan-3-yl)prop-1-en-2-yl-trifluoroboranuide is C=C(CN1CCC2(CCCCC2)CC1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium 3-(3-azaspiro[5.5]undecan-3-yl)prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is LKWXKPXMISGWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BF3N.K/c1-12(14(15,16)17)11-18-9-7-13(8-10-18)5-3-2-4-6-13;/h1-11H2;/q-1;+1.
What are the key properties of potassium 3-(3-azaspiro[5.5]undecan-3-yl)prop-1-en-2-yl-trifluoroboranuide?
potassium 3-(3-azaspiro[5.5]undecan-3-yl)prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 299.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-(3-azaspiro[5.5]undecan-3-yl)prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106746003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).