potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide

C7H16BF3KNO — CID 63691795

IUPACpotassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide
SMILESCCOCCN(CC)C[B-](F)(F)F.[K+]
InChIInChI=1S/C7H16BF3NO.K/c1-3-12(5-6-13-4-2)7-8(9,10)11;/h3-7H2,1-2H3;/q-1;+1
InChIKeyALGFUOFOPWWMPZ-UHFFFAOYSA-N
MW237.11 g/mol
LogP-1.26
Rot. Bonds7

About potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide

potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide (PubChem CID 63691795) has the molecular formula C7H16BF3KNO and a molecular weight of 237.11 g/mol. Its IUPAC name is potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide
PubChem CID63691795
Molecular FormulaC7H16BF3KNO
Molecular Weight237.11 g/mol
Exact Mass237.09
IUPAC Namepotassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide
SMILESCCOCCN(CC)C[B-](F)(F)F.[K+]
InChIInChI=1S/C7H16BF3NO.K/c1-3-12(5-6-13-4-2)7-8(9,10)11;/h3-7H2,1-2H3;/q-1;+1
InChIKeyALGFUOFOPWWMPZ-UHFFFAOYSA-N
XLogP-1.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.11
LogP ≤ 5-1.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(dimethylamino)propyl-ethylamino]methyl-trifluoroboranuide
CID 102998214
N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 58803335
2-ethoxyethyl(trifluoro)boranuide
CID 63702245
3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine
CID 63698274
N,N-bis(2-ethoxyethyl)butan-1-amine
CID 91213413
N'-(2-ethoxyethyl)-N'-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 63692867
4-[2-ethoxyethyl(ethyl)amino]butanenitrile
CID 63697379
1-N-(2-ethoxyethyl)-1-N,2-N-diethylpropane-1,2-diamine
CID 63697376
N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propylpropane-1,3-diamine
CID 63691778
1-[2-ethoxyethyl(ethyl)amino]-3,3-dimethylbutan-2-ol
CID 63691569
2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol
CID 146492334
2-[2-ethoxyethyl(ethyl)amino]ethanimidamide
CID 63697565

Frequently Asked Questions

What is the IUPAC name of potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide?
The IUPAC name of potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide (CID 63691795) is potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide.
What is the SMILES notation for potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide?
The canonical SMILES for potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide is CCOCCN(CC)C[B-](F)(F)F.[K+].
What is the InChIKey of potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide?
The InChIKey is ALGFUOFOPWWMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16BF3NO.K/c1-3-12(5-6-13-4-2)7-8(9,10)11;/h3-7H2,1-2H3;/q-1;+1.
What are the key properties of potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide?
potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide has a molecular weight of 237.11 g/mol, XLogP of -1.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide is sourced from PubChem (CID 63691795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).