potassium (3,3-difluoropiperidin-1-yl)methyl-trifluoroboranuide

C6H10BF5KN — CID 164647179

IUPACpotassium (3,3-difluoropiperidin-1-yl)methyl-trifluoroboranuide
SMILESF[B-](F)(F)CN1CCCC(F)(F)C1.[K+]
InChIInChI=1S/C6H10BF5N.K/c8-6(9)2-1-3-13(4-6)5-7(10,11)12;/h1-5H2;/q-1;+1
InChIKeyGAWRICSTGQFLJQ-UHFFFAOYSA-N
MW241.05 g/mol
LogP-0.89
Rot. Bonds2

About potassium (3,3-difluoropiperidin-1-yl)methyl-trifluoroboranuide

potassium (3,3-difluoropiperidin-1-yl)methyl-trifluoroboranuide (PubChem CID 164647179) has the molecular formula C6H10BF5KN and a molecular weight of 241.05 g/mol. Its IUPAC name is potassium (3,3-difluoropiperidin-1-yl)methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (3,3-difluoropiperidin-1-yl)methyl-trifluoroboranuide
PubChem CID164647179
Molecular FormulaC6H10BF5KN
Molecular Weight241.05 g/mol
Exact Mass241.05
IUPAC Namepotassium (3,3-difluoropiperidin-1-yl)methyl-trifluoroboranuide
SMILESF[B-](F)(F)CN1CCCC(F)(F)C1.[K+]
InChIInChI=1S/C6H10BF5N.K/c8-6(9)2-1-3-13(4-6)5-7(10,11)12;/h1-5H2;/q-1;+1
InChIKeyGAWRICSTGQFLJQ-UHFFFAOYSA-N
XLogP-0.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.05
LogP ≤ 5-0.89
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-difluoropiperidin-1-yl)methyl-trifluoroboranuide?
The IUPAC name of potassium (3,3-difluoropiperidin-1-yl)methyl-trifluoroboranuide (CID 164647179) is potassium (3,3-difluoropiperidin-1-yl)methyl-trifluoroboranuide.
What is the SMILES notation for potassium (3,3-difluoropiperidin-1-yl)methyl-trifluoroboranuide?
The canonical SMILES for potassium (3,3-difluoropiperidin-1-yl)methyl-trifluoroboranuide is F[B-](F)(F)CN1CCCC(F)(F)C1.[K+].
What is the InChIKey of potassium (3,3-difluoropiperidin-1-yl)methyl-trifluoroboranuide?
The InChIKey is GAWRICSTGQFLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BF5N.K/c8-6(9)2-1-3-13(4-6)5-7(10,11)12;/h1-5H2;/q-1;+1.
What are the key properties of potassium (3,3-difluoropiperidin-1-yl)methyl-trifluoroboranuide?
potassium (3,3-difluoropiperidin-1-yl)methyl-trifluoroboranuide has a molecular weight of 241.05 g/mol, XLogP of -0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (3,3-difluoropiperidin-1-yl)methyl-trifluoroboranuide is sourced from PubChem (CID 164647179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).