potassium trifluoro-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]boranuide

C9H17BF3KN2O — CID 63703850

IUPACpotassium trifluoro-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]boranuide
SMILESF[B-](F)(F)CN1CCC(N2CCOCC2)C1.[K+]
InChIInChI=1S/C9H17BF3N2O.K/c11-10(12,13)8-14-2-1-9(7-14)15-3-5-16-6-4-15;/h9H,1-8H2;/q-1;+1
InChIKeyLZBNYHWIAVIVCF-UHFFFAOYSA-N
MW276.15 g/mol
LogP-2.22
Rot. Bonds3

About potassium trifluoro-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]boranuide

potassium trifluoro-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]boranuide (PubChem CID 63703850) has the molecular formula C9H17BF3KN2O and a molecular weight of 276.15 g/mol. Its IUPAC name is potassium trifluoro-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]boranuide
PubChem CID63703850
Molecular FormulaC9H17BF3KN2O
Molecular Weight276.15 g/mol
Exact Mass276.10
IUPAC Namepotassium trifluoro-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]boranuide
SMILESF[B-](F)(F)CN1CCC(N2CCOCC2)C1.[K+]
InChIInChI=1S/C9H17BF3N2O.K/c11-10(12,13)8-14-2-1-9(7-14)15-3-5-16-6-4-15;/h9H,1-8H2;/q-1;+1
InChIKeyLZBNYHWIAVIVCF-UHFFFAOYSA-N
XLogP-2.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 5-2.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 trifluoro-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]boranuide?
The IUPAC name of potassium trifluoro-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]boranuide (CID 63703850) is potassium trifluoro-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]boranuide?
The canonical SMILES for potassium trifluoro-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]boranuide is F[B-](F)(F)CN1CCC(N2CCOCC2)C1.[K+].
What is the InChIKey of potassium trifluoro-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]boranuide?
The InChIKey is LZBNYHWIAVIVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BF3N2O.K/c11-10(12,13)8-14-2-1-9(7-14)15-3-5-16-6-4-15;/h9H,1-8H2;/q-1;+1.
What are the key properties of potassium trifluoro-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]boranuide?
potassium trifluoro-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]boranuide has a molecular weight of 276.15 g/mol, XLogP of -2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]boranuide is sourced from PubChem (CID 63703850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).