potassium trifluoro-[3-[1-methoxypropan-2-yl(methyl)amino]prop-1-en-2-yl]boranuide

C8H16BF3KNO — CID 106745789

IUPACpotassium trifluoro-[3-[1-methoxypropan-2-yl(methyl)amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)C(C)COC)[B-](F)(F)F.[K+]
InChIInChI=1S/C8H16BF3NO.K/c1-7(9(10,11)12)5-13(3)8(2)6-14-4;/h8H,1,5-6H2,2-4H3;/q-1;+1
InChIKeyJHYBVBSRJLMBBZ-UHFFFAOYSA-N
MW249.13 g/mol
LogP-1.10
Rot. Bonds6

About potassium trifluoro-[3-[1-methoxypropan-2-yl(methyl)amino]prop-1-en-2-yl]boranuide

potassium trifluoro-[3-[1-methoxypropan-2-yl(methyl)amino]prop-1-en-2-yl]boranuide (PubChem CID 106745789) has the molecular formula C8H16BF3KNO and a molecular weight of 249.13 g/mol. Its IUPAC name is potassium trifluoro-[3-[1-methoxypropan-2-yl(methyl)amino]prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-[1-methoxypropan-2-yl(methyl)amino]prop-1-en-2-yl]boranuide
PubChem CID106745789
Molecular FormulaC8H16BF3KNO
Molecular Weight249.13 g/mol
Exact Mass249.09
IUPAC Namepotassium trifluoro-[3-[1-methoxypropan-2-yl(methyl)amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)C(C)COC)[B-](F)(F)F.[K+]
InChIInChI=1S/C8H16BF3NO.K/c1-7(9(10,11)12)5-13(3)8(2)6-14-4;/h8H,1,5-6H2,2-4H3;/q-1;+1
InChIKeyJHYBVBSRJLMBBZ-UHFFFAOYSA-N
XLogP-1.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 5-1.10
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

potassium trifluoro-[3-[methyl(pentan-2-yl)amino]prop-1-en-2-yl]boranuide
CID 106745749
3-[butan-2-yl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide
CID 106745676
potassium 3-[bis(2-methoxyethyl)amino]prop-1-en-2-yl-trifluoroboranuide
CID 106745833
N-(1-methoxypropan-2-yl)-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103069854
trifluoro-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]prop-1-en-2-yl]boranuide
CID 106746228
N-ethyl-1-methoxy-N-methylpropan-2-amine
CID 142890650
(2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 103935012
potassium trifluoro-[3-[methyl(3-methylbutyl)amino]prop-1-en-2-yl]boranuide
CID 106745843
2-[1-methoxypropan-2-yl(methyl)amino]acetohydrazide
CID 63585055
(2S)-1-methoxy-N-methyl-N-prop-2-enylpropan-2-amine
CID 171624070
trifluoro-[3-[propan-2-yl(propyl)amino]prop-1-en-2-yl]boranuide
CID 106745698
1,1,1-trifluoro-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 63899392

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[3-[1-methoxypropan-2-yl(methyl)amino]prop-1-en-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[3-[1-methoxypropan-2-yl(methyl)amino]prop-1-en-2-yl]boranuide (CID 106745789) is potassium trifluoro-[3-[1-methoxypropan-2-yl(methyl)amino]prop-1-en-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-[1-methoxypropan-2-yl(methyl)amino]prop-1-en-2-yl]boranuide?
The canonical SMILES for potassium trifluoro-[3-[1-methoxypropan-2-yl(methyl)amino]prop-1-en-2-yl]boranuide is C=C(CN(C)C(C)COC)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[3-[1-methoxypropan-2-yl(methyl)amino]prop-1-en-2-yl]boranuide?
The InChIKey is JHYBVBSRJLMBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BF3NO.K/c1-7(9(10,11)12)5-13(3)8(2)6-14-4;/h8H,1,5-6H2,2-4H3;/q-1;+1.
What are the key properties of potassium trifluoro-[3-[1-methoxypropan-2-yl(methyl)amino]prop-1-en-2-yl]boranuide?
potassium trifluoro-[3-[1-methoxypropan-2-yl(methyl)amino]prop-1-en-2-yl]boranuide has a molecular weight of 249.13 g/mol, XLogP of -1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-[1-methoxypropan-2-yl(methyl)amino]prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106745789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).