potassium trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide

C7H14BF3KNO — CID 63702795

IUPACpotassium trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide
SMILESCN(C[B-](F)(F)F)C1CCOCC1.[K+]
InChIInChI=1S/C7H14BF3NO.K/c1-12(6-8(9,10)11)7-2-4-13-5-3-7;/h7H,2-6H2,1H3;/q-1;+1
InChIKeyDJTZXWSHHJHBPV-UHFFFAOYSA-N
MW235.10 g/mol
LogP-1.51
Rot. Bonds3

About potassium trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide

potassium trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide (PubChem CID 63702795) has the molecular formula C7H14BF3KNO and a molecular weight of 235.10 g/mol. Its IUPAC name is potassium trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide
PubChem CID63702795
Molecular FormulaC7H14BF3KNO
Molecular Weight235.10 g/mol
Exact Mass235.08
IUPAC Namepotassium trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide
SMILESCN(C[B-](F)(F)F)C1CCOCC1.[K+]
InChIInChI=1S/C7H14BF3NO.K/c1-12(6-8(9,10)11)7-2-4-13-5-3-7;/h7H,2-6H2,1H3;/q-1;+1
InChIKeyDJTZXWSHHJHBPV-UHFFFAOYSA-N
XLogP-1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.10
LogP ≤ 5-1.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[[methyl(oxan-4-yl)amino]methyl]boranuide?
The IUPAC name of potassium trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide (CID 63702795) is potassium trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide?
The canonical SMILES for potassium trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide is CN(C[B-](F)(F)F)C1CCOCC1.[K+].
What is the InChIKey of potassium trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide?
The InChIKey is DJTZXWSHHJHBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BF3NO.K/c1-12(6-8(9,10)11)7-2-4-13-5-3-7;/h7H,2-6H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide?
potassium trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide has a molecular weight of 235.10 g/mol, XLogP of -1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide is sourced from PubChem (CID 63702795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).