potassium trifluoro-[(4-propan-2-ylpiperazin-1-yl)methyl]boranuide

C8H17BF3KN2 — CID 63702527

IUPACpotassium trifluoro-[(4-propan-2-ylpiperazin-1-yl)methyl]boranuide
SMILESCC(C)N1CCN(C[B-](F)(F)F)CC1.[K+]
InChIInChI=1S/C8H17BF3N2.K/c1-8(2)14-5-3-13(4-6-14)7-9(10,11)12;/h8H,3-7H2,1-2H3;/q-1;+1
InChIKeyWYGHWMBPUQJQSY-UHFFFAOYSA-N
MW248.14 g/mol
LogP-1.60
Rot. Bonds3

About potassium trifluoro-[(4-propan-2-ylpiperazin-1-yl)methyl]boranuide

potassium trifluoro-[(4-propan-2-ylpiperazin-1-yl)methyl]boranuide (PubChem CID 63702527) has the molecular formula C8H17BF3KN2 and a molecular weight of 248.14 g/mol. Its IUPAC name is potassium trifluoro-[(4-propan-2-ylpiperazin-1-yl)methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(4-propan-2-ylpiperazin-1-yl)methyl]boranuide
PubChem CID63702527
Molecular FormulaC8H17BF3KN2
Molecular Weight248.14 g/mol
Exact Mass248.11
IUPAC Namepotassium trifluoro-[(4-propan-2-ylpiperazin-1-yl)methyl]boranuide
SMILESCC(C)N1CCN(C[B-](F)(F)F)CC1.[K+]
InChIInChI=1S/C8H17BF3N2.K/c1-8(2)14-5-3-13(4-6-14)7-9(10,11)12;/h8H,3-7H2,1-2H3;/q-1;+1
InChIKeyWYGHWMBPUQJQSY-UHFFFAOYSA-N
XLogP-1.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 5-1.60
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-[(4-propan-2-ylpiperazin-1-yl)methyl]boranuide?
The IUPAC name of potassium trifluoro-[(4-propan-2-ylpiperazin-1-yl)methyl]boranuide (CID 63702527) is potassium trifluoro-[(4-propan-2-ylpiperazin-1-yl)methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(4-propan-2-ylpiperazin-1-yl)methyl]boranuide?
The canonical SMILES for potassium trifluoro-[(4-propan-2-ylpiperazin-1-yl)methyl]boranuide is CC(C)N1CCN(C[B-](F)(F)F)CC1.[K+].
What is the InChIKey of potassium trifluoro-[(4-propan-2-ylpiperazin-1-yl)methyl]boranuide?
The InChIKey is WYGHWMBPUQJQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BF3N2.K/c1-8(2)14-5-3-13(4-6-14)7-9(10,11)12;/h8H,3-7H2,1-2H3;/q-1;+1.
What are the key properties of potassium trifluoro-[(4-propan-2-ylpiperazin-1-yl)methyl]boranuide?
potassium trifluoro-[(4-propan-2-ylpiperazin-1-yl)methyl]boranuide has a molecular weight of 248.14 g/mol, XLogP of -1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(4-propan-2-ylpiperazin-1-yl)methyl]boranuide is sourced from PubChem (CID 63702527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).