potassium (4-ethoxy-2-methyl-4-oxobutan-2-yl)-trifluoroboranuide

C7H13BF3KO2 — CID 170906969

IUPACpotassium (4-ethoxy-2-methyl-4-oxobutan-2-yl)-trifluoroboranuide
SMILESCCOC(=O)CC(C)(C)[B-](F)(F)F.[K+]
InChIInChI=1S/C7H13BF3O2.K/c1-4-13-6(12)5-7(2,3)8(9,10)11;/h4-5H2,1-3H3;/q-1;+1
InChIKeySFBBBQGKFHSRAF-UHFFFAOYSA-N
MW236.08 g/mol
LogP-0.43
Rot. Bonds4

About potassium (4-ethoxy-2-methyl-4-oxobutan-2-yl)-trifluoroboranuide

potassium (4-ethoxy-2-methyl-4-oxobutan-2-yl)-trifluoroboranuide (PubChem CID 170906969) has the molecular formula C7H13BF3KO2 and a molecular weight of 236.08 g/mol. Its IUPAC name is potassium (4-ethoxy-2-methyl-4-oxobutan-2-yl)-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (4-ethoxy-2-methyl-4-oxobutan-2-yl)-trifluoroboranuide
PubChem CID170906969
Molecular FormulaC7H13BF3KO2
Molecular Weight236.08 g/mol
Exact Mass236.06
IUPAC Namepotassium (4-ethoxy-2-methyl-4-oxobutan-2-yl)-trifluoroboranuide
SMILESCCOC(=O)CC(C)(C)[B-](F)(F)F.[K+]
InChIInChI=1S/C7H13BF3O2.K/c1-4-13-6(12)5-7(2,3)8(9,10)11;/h4-5H2,1-3H3;/q-1;+1
InChIKeySFBBBQGKFHSRAF-UHFFFAOYSA-N
XLogP-0.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.08
LogP ≤ 5-0.43
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

diethyl (2R)-2-hydroxy-2-methylbutanedioate
CID 12732542
ethyl 3,3-dimethylbutanoate;methane
CID 167622566
triethyl 2-hydroxypropane-1,2,3-tricarboxylate
CID 6506
ethyl 3,4,4,4-tetrafluoro-3-(trifluoromethyl)butanoate
CID 170871932
2-(2-ethoxy-2-oxoethyl)-2-methylpropanedioic acid
CID 174526712
triethyl 2-fluoroethane-1,1,1-tricarboxylate
CID 24796347
ethyl (2R)-2-amino-2-fluoropropanoate
CID 57210654
(2-ethoxy-2-oxoethyl)-trifluoroboranuide
CID 42614641
diethyl 2-methyl-2-(1,1,1-trifluoropropan-2-yl)butanedioate
CID 18450361
propan-2-one;triethyl 2-hydroxypropane-1,2,3-tricarboxylate
CID 21254515
triethyl 2-ethoxypropane-1,2,3-tricarboxylate
CID 57322317
tetraethyl propane-1,1,1,3-tetracarboxylate
CID 90920632

Frequently Asked Questions

What is the IUPAC name of potassium (4-ethoxy-2-methyl-4-oxobutan-2-yl)-trifluoroboranuide?
The IUPAC name of potassium (4-ethoxy-2-methyl-4-oxobutan-2-yl)-trifluoroboranuide (CID 170906969) is potassium (4-ethoxy-2-methyl-4-oxobutan-2-yl)-trifluoroboranuide.
What is the SMILES notation for potassium (4-ethoxy-2-methyl-4-oxobutan-2-yl)-trifluoroboranuide?
The canonical SMILES for potassium (4-ethoxy-2-methyl-4-oxobutan-2-yl)-trifluoroboranuide is CCOC(=O)CC(C)(C)[B-](F)(F)F.[K+].
What is the InChIKey of potassium (4-ethoxy-2-methyl-4-oxobutan-2-yl)-trifluoroboranuide?
The InChIKey is SFBBBQGKFHSRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BF3O2.K/c1-4-13-6(12)5-7(2,3)8(9,10)11;/h4-5H2,1-3H3;/q-1;+1.
What are the key properties of potassium (4-ethoxy-2-methyl-4-oxobutan-2-yl)-trifluoroboranuide?
potassium (4-ethoxy-2-methyl-4-oxobutan-2-yl)-trifluoroboranuide has a molecular weight of 236.08 g/mol, XLogP of -0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (4-ethoxy-2-methyl-4-oxobutan-2-yl)-trifluoroboranuide is sourced from PubChem (CID 170906969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).