potassium trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]prop-1-en-2-yl]boranuide

C9H17BF3KO3 — CID 106746871

IUPACpotassium trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]prop-1-en-2-yl]boranuide
SMILESC=C(COCCOCCCOC)[B-](F)(F)F.[K+]
InChIInChI=1S/C9H17BF3O3.K/c1-9(10(11,12)13)8-16-7-6-15-5-3-4-14-2;/h1,3-8H2,2H3;/q-1;+1
InChIKeyUGXMBNHHJJQURA-UHFFFAOYSA-N
MW280.14 g/mol
LogP-1.00
Rot. Bonds10

About potassium trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]prop-1-en-2-yl]boranuide

potassium trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]prop-1-en-2-yl]boranuide (PubChem CID 106746871) has the molecular formula C9H17BF3KO3 and a molecular weight of 280.14 g/mol. Its IUPAC name is potassium trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]prop-1-en-2-yl]boranuide
PubChem CID106746871
Molecular FormulaC9H17BF3KO3
Molecular Weight280.14 g/mol
Exact Mass280.09
IUPAC Namepotassium trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]prop-1-en-2-yl]boranuide
SMILESC=C(COCCOCCCOC)[B-](F)(F)F.[K+]
InChIInChI=1S/C9H17BF3O3.K/c1-9(10(11,12)13)8-16-7-6-15-5-3-4-14-2;/h1,3-8H2,2H3;/q-1;+1
InChIKeyUGXMBNHHJJQURA-UHFFFAOYSA-N
XLogP-1.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.14
LogP ≤ 5-1.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

potassium 3-butoxyprop-1-en-2-yl(trifluoro)boranuide
CID 106746715
trifluoro-[2-(3-methoxypropoxy)ethoxymethyl]boranuide
CID 103176009
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
potassium trifluoro-[3-(2-methoxyethoxy)propoxymethyl]boranuide
CID 103407199
2-[2-(3-methoxypropoxy)ethoxy]acetic acid
CID 54027919
potassium 3-[bis(2-methoxyethyl)amino]prop-1-en-2-yl-trifluoroboranuide
CID 106745833
1-methoxy-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one
CID 107508246
2-[3-(2-methoxyethoxy)propoxy]acetic acid
CID 87577722
2-[2-(3-methoxypropoxy)ethoxy]-N-methylacetamide
CID 134579961
1-(2-ethenoxyethoxy)-3-methoxypropane
CID 103177352
2-[3-(4-methoxybutoxy)propoxy]acetamide
CID 142367848
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 155650334

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]prop-1-en-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]prop-1-en-2-yl]boranuide (CID 106746871) is potassium trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]prop-1-en-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]prop-1-en-2-yl]boranuide?
The canonical SMILES for potassium trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]prop-1-en-2-yl]boranuide is C=C(COCCOCCCOC)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]prop-1-en-2-yl]boranuide?
The InChIKey is UGXMBNHHJJQURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BF3O3.K/c1-9(10(11,12)13)8-16-7-6-15-5-3-4-14-2;/h1,3-8H2,2H3;/q-1;+1.
What are the key properties of potassium trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]prop-1-en-2-yl]boranuide?
potassium trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]prop-1-en-2-yl]boranuide has a molecular weight of 280.14 g/mol, XLogP of -1.00, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).