potassium 3-butan-2-yloxyprop-1-en-2-yl(trifluoro)boranuide

C7H13BF3KO — CID 106746733

IUPACpotassium 3-butan-2-yloxyprop-1-en-2-yl(trifluoro)boranuide
SMILESC=C(COC(C)CC)[B-](F)(F)F.[K+]
InChIInChI=1S/C7H13BF3O.K/c1-4-7(3)12-5-6(2)8(9,10)11;/h7H,2,4-5H2,1,3H3;/q-1;+1
InChIKeyZDUMDNUKEWGYBI-UHFFFAOYSA-N
MW220.08 g/mol
LogP-0.25
Rot. Bonds5

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

potassium 3-butan-2-yloxyprop-1-en-2-yl(trifluoro)boranuide (PubChem CID 106746733) has the molecular formula C7H13BF3KO and a molecular weight of 220.08 g/mol. Its IUPAC name is potassium 3-butan-2-yloxyprop-1-en-2-yl(trifluoro)boranuide.

Molecular Properties

Compound Namepotassium 3-butan-2-yloxyprop-1-en-2-yl(trifluoro)boranuide
PubChem CID106746733
Molecular FormulaC7H13BF3KO
Molecular Weight220.08 g/mol
Exact Mass220.06
IUPAC Namepotassium 3-butan-2-yloxyprop-1-en-2-yl(trifluoro)boranuide
SMILESC=C(COC(C)CC)[B-](F)(F)F.[K+]
InChIInChI=1S/C7H13BF3O.K/c1-4-7(3)12-5-6(2)8(9,10)11;/h7H,2,4-5H2,1,3H3;/q-1;+1
InChIKeyZDUMDNUKEWGYBI-UHFFFAOYSA-N
XLogP-0.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 3-butan-2-yloxyprop-1-en-2-yl(trifluoro)boranuide?
The IUPAC name of potassium 3-butan-2-yloxyprop-1-en-2-yl(trifluoro)boranuide (CID 106746733) is potassium 3-butan-2-yloxyprop-1-en-2-yl(trifluoro)boranuide.
What is the SMILES notation for potassium 3-butan-2-yloxyprop-1-en-2-yl(trifluoro)boranuide?
The canonical SMILES for potassium 3-butan-2-yloxyprop-1-en-2-yl(trifluoro)boranuide is C=C(COC(C)CC)[B-](F)(F)F.[K+].
What is the InChIKey of potassium 3-butan-2-yloxyprop-1-en-2-yl(trifluoro)boranuide?
The InChIKey is ZDUMDNUKEWGYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BF3O.K/c1-4-7(3)12-5-6(2)8(9,10)11;/h7H,2,4-5H2,1,3H3;/q-1;+1.
What are the key properties of potassium 3-butan-2-yloxyprop-1-en-2-yl(trifluoro)boranuide?
potassium 3-butan-2-yloxyprop-1-en-2-yl(trifluoro)boranuide has a molecular weight of 220.08 g/mol, XLogP of -0.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-butan-2-yloxyprop-1-en-2-yl(trifluoro)boranuide is sourced from PubChem (CID 106746733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).