dipotassium;2-[tert-butyl(carboxylato)amino]ethyl-trifluoroboranuide

C7H13BF3K2NO2 — CID 87169354

IUPACdipotassium;2-[tert-butyl(carboxylato)amino]ethyl-trifluoroboranuide
SMILESCC(C)(C)N(CC[B-](F)(F)F)C(=O)[O-].[K+].[K+]
InChIInChI=1S/C7H14BF3NO2.2K/c1-7(2,3)12(6(13)14)5-4-8(9,10)11;;/h4-5H2,1-3H3,(H,13,14);;/q-1;2*+1/p-1
InChIKeyQMBCUCFVLOGIRS-UHFFFAOYSA-M
MW289.19 g/mol
LogP-4.71
Rot. Bonds3

About dipotassium;2-[tert-butyl(carboxylato)amino]ethyl-trifluoroboranuide

dipotassium;2-[tert-butyl(carboxylato)amino]ethyl-trifluoroboranuide (PubChem CID 87169354) has the molecular formula C7H13BF3K2NO2 and a molecular weight of 289.19 g/mol. Its IUPAC name is dipotassium;2-[tert-butyl(carboxylato)amino]ethyl-trifluoroboranuide.

Molecular Properties

Compound Namedipotassium;2-[tert-butyl(carboxylato)amino]ethyl-trifluoroboranuide
PubChem CID87169354
Molecular FormulaC7H13BF3K2NO2
Molecular Weight289.19 g/mol
Exact Mass289.03
IUPAC Namedipotassium;2-[tert-butyl(carboxylato)amino]ethyl-trifluoroboranuide
SMILESCC(C)(C)N(CC[B-](F)(F)F)C(=O)[O-].[K+].[K+]
InChIInChI=1S/C7H14BF3NO2.2K/c1-7(2,3)12(6(13)14)5-4-8(9,10)11;;/h4-5H2,1-3H3,(H,13,14);;/q-1;2*+1/p-1
InChIKeyQMBCUCFVLOGIRS-UHFFFAOYSA-M
XLogP-4.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 5-4.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-N-tert-butylcarbamate
CID 86608743
N-(2-amino-2-hydroxyiminoethyl)-N-tert-butylcarbamate
CID 131731323
N-tert-butyl-N-(7-oxo-8-phenyloctyl)carbamate
CID 71431538
dipotassium;2,2-dimethylpropanedioate
CID 87067111
N-tert-butyl-N-(3-hydroxypropyl)acetamide
CID 138079475
trifluoro-(3-hydroxy-3-methylbutyl)boranuide
CID 55251459
N-tert-butyl-N-[(Z)-6,6-dimethylhept-4-enyl]acetamide
CID 58798567
N-(3-amino-3-sulfanylidenepropyl)-N-tert-butylacetamide
CID 82103606
potassium 2,2-dimethylpropanoate
CID 23662159
N-tert-butyl-N-[4-[[(2S)-2-hydroxy-3-methoxypropyl]-(propan-2-ylcarbamoyl)amino]butyl]carbamate
CID 86629847
2-[acetyl(tert-butyl)amino]-N,N-dipropylacetamide
CID 113166139
N-tert-butyl-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113056623

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-[tert-butyl(carboxylato)amino]ethyl-trifluoroboranuide?
The IUPAC name of dipotassium;2-[tert-butyl(carboxylato)amino]ethyl-trifluoroboranuide (CID 87169354) is dipotassium;2-[tert-butyl(carboxylato)amino]ethyl-trifluoroboranuide.
What is the SMILES notation for dipotassium;2-[tert-butyl(carboxylato)amino]ethyl-trifluoroboranuide?
The canonical SMILES for dipotassium;2-[tert-butyl(carboxylato)amino]ethyl-trifluoroboranuide is CC(C)(C)N(CC[B-](F)(F)F)C(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;2-[tert-butyl(carboxylato)amino]ethyl-trifluoroboranuide?
The InChIKey is QMBCUCFVLOGIRS-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14BF3NO2.2K/c1-7(2,3)12(6(13)14)5-4-8(9,10)11;;/h4-5H2,1-3H3,(H,13,14);;/q-1;2*+1/p-1.
What are the key properties of dipotassium;2-[tert-butyl(carboxylato)amino]ethyl-trifluoroboranuide?
dipotassium;2-[tert-butyl(carboxylato)amino]ethyl-trifluoroboranuide has a molecular weight of 289.19 g/mol, XLogP of -4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-[tert-butyl(carboxylato)amino]ethyl-trifluoroboranuide is sourced from PubChem (CID 87169354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).