potassium 3-[bis(2-methoxyethyl)amino]prop-1-en-2-yl-trifluoroboranuide

C9H18BF3KNO2 — CID 106745833

IUPACpotassium 3-[bis(2-methoxyethyl)amino]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN(CCOC)CCOC)[B-](F)(F)F.[K+]
InChIInChI=1S/C9H18BF3NO2.K/c1-9(10(11,12)13)8-14(4-6-15-2)5-7-16-3;/h1,4-8H2,2-3H3;/q-1;+1
InChIKeySNPJPFPAMNCLMU-UHFFFAOYSA-N
MW279.15 g/mol
LogP-1.47
Rot. Bonds9

About potassium 3-[bis(2-methoxyethyl)amino]prop-1-en-2-yl-trifluoroboranuide

potassium 3-[bis(2-methoxyethyl)amino]prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106745833) has the molecular formula C9H18BF3KNO2 and a molecular weight of 279.15 g/mol. Its IUPAC name is potassium 3-[bis(2-methoxyethyl)amino]prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium 3-[bis(2-methoxyethyl)amino]prop-1-en-2-yl-trifluoroboranuide
PubChem CID106745833
Molecular FormulaC9H18BF3KNO2
Molecular Weight279.15 g/mol
Exact Mass279.10
IUPAC Namepotassium 3-[bis(2-methoxyethyl)amino]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN(CCOC)CCOC)[B-](F)(F)F.[K+]
InChIInChI=1S/C9H18BF3NO2.K/c1-9(10(11,12)13)8-14(4-6-15-2)5-7-16-3;/h1,4-8H2,2-3H3;/q-1;+1
InChIKeySNPJPFPAMNCLMU-UHFFFAOYSA-N
XLogP-1.47
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.15
LogP ≤ 5-1.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]prop-1-en-2-yl]boranuide
CID 106746871
2-[2-methoxyethyl(2-methylidenebutyl)amino]ethanol
CID 115897951
3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile
CID 63286745
2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide
CID 60661910
3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid
CID 61418249
1-[2-methoxyethyl(propyl)amino]propan-2-one
CID 20709816
2-[bis(2-methoxyethyl)amino]-1-phenylethanone
CID 60649797
methyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate
CID 60649296
3-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid
CID 82329181
2-[bis(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78807325
2-[bis(2-methoxyethyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 86908702
1-[bis(2-methoxyethyl)amino]propan-2-ol
CID 59693413

Frequently Asked Questions

What is the IUPAC name of potassium 3-[bis(2-methoxyethyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of potassium 3-[bis(2-methoxyethyl)amino]prop-1-en-2-yl-trifluoroboranuide (CID 106745833) is potassium 3-[bis(2-methoxyethyl)amino]prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for potassium 3-[bis(2-methoxyethyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for potassium 3-[bis(2-methoxyethyl)amino]prop-1-en-2-yl-trifluoroboranuide is C=C(CN(CCOC)CCOC)[B-](F)(F)F.[K+].
What is the InChIKey of potassium 3-[bis(2-methoxyethyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is SNPJPFPAMNCLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BF3NO2.K/c1-9(10(11,12)13)8-14(4-6-15-2)5-7-16-3;/h1,4-8H2,2-3H3;/q-1;+1.
What are the key properties of potassium 3-[bis(2-methoxyethyl)amino]prop-1-en-2-yl-trifluoroboranuide?
potassium 3-[bis(2-methoxyethyl)amino]prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 279.15 g/mol, XLogP of -1.47, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-[bis(2-methoxyethyl)amino]prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106745833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).