potassium 3-butoxyprop-1-en-2-yl(trifluoro)boranuide

C7H13BF3KO — CID 106746715

IUPACpotassium 3-butoxyprop-1-en-2-yl(trifluoro)boranuide
SMILESC=C(COCCCC)[B-](F)(F)F.[K+]
InChIInChI=1S/C7H13BF3O.K/c1-3-4-5-12-6-7(2)8(9,10)11;/h2-6H2,1H3;/q-1;+1
InChIKeyBAXQYLVMPKHKKR-UHFFFAOYSA-N
MW220.08 g/mol
LogP-0.25
Rot. Bonds6

About potassium 3-butoxyprop-1-en-2-yl(trifluoro)boranuide

potassium 3-butoxyprop-1-en-2-yl(trifluoro)boranuide (PubChem CID 106746715) has the molecular formula C7H13BF3KO and a molecular weight of 220.08 g/mol. Its IUPAC name is potassium 3-butoxyprop-1-en-2-yl(trifluoro)boranuide.

Molecular Properties

Compound Namepotassium 3-butoxyprop-1-en-2-yl(trifluoro)boranuide
PubChem CID106746715
Molecular FormulaC7H13BF3KO
Molecular Weight220.08 g/mol
Exact Mass220.06
IUPAC Namepotassium 3-butoxyprop-1-en-2-yl(trifluoro)boranuide
SMILESC=C(COCCCC)[B-](F)(F)F.[K+]
InChIInChI=1S/C7H13BF3O.K/c1-3-4-5-12-6-7(2)8(9,10)11;/h2-6H2,1H3;/q-1;+1
InChIKeyBAXQYLVMPKHKKR-UHFFFAOYSA-N
XLogP-0.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.08
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

trifluoro(3-heptoxyprop-1-en-2-yl)boranuide
CID 106746672
potassium trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]prop-1-en-2-yl]boranuide
CID 106746871
trifluoro-[3-(4-methylpentoxy)prop-1-en-2-yl]boranuide
CID 106746682
3-butoxyprop-1-en-2-olate
CID 150634634
1-[2-(2-methylprop-2-enoxy)ethoxy]butane
CID 87922728
1-[2-(heptoxymethyl)prop-2-enoxy]heptane
CID 138543680
2-(butoxymethyl)prop-2-enoic acid
CID 23505124
1-(2-methylprop-2-enoxy)dodecane
CID 156690078
butoxymethanol;ethane
CID 145241108
potassium trifluoro(3-pentylsulfanylprop-1-en-2-yl)boranuide
CID 107754354
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
ethane;1-ethoxybutane
CID 143206406

Frequently Asked Questions

What is the IUPAC name of potassium 3-butoxyprop-1-en-2-yl(trifluoro)boranuide?
The IUPAC name of potassium 3-butoxyprop-1-en-2-yl(trifluoro)boranuide (CID 106746715) is potassium 3-butoxyprop-1-en-2-yl(trifluoro)boranuide.
What is the SMILES notation for potassium 3-butoxyprop-1-en-2-yl(trifluoro)boranuide?
The canonical SMILES for potassium 3-butoxyprop-1-en-2-yl(trifluoro)boranuide is C=C(COCCCC)[B-](F)(F)F.[K+].
What is the InChIKey of potassium 3-butoxyprop-1-en-2-yl(trifluoro)boranuide?
The InChIKey is BAXQYLVMPKHKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BF3O.K/c1-3-4-5-12-6-7(2)8(9,10)11;/h2-6H2,1H3;/q-1;+1.
What are the key properties of potassium 3-butoxyprop-1-en-2-yl(trifluoro)boranuide?
potassium 3-butoxyprop-1-en-2-yl(trifluoro)boranuide has a molecular weight of 220.08 g/mol, XLogP of -0.25, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-butoxyprop-1-en-2-yl(trifluoro)boranuide is sourced from PubChem (CID 106746715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).