potassium trifluoro-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]boranuide

C8H15BF3KO2 — CID 166437332

IUPACpotassium trifluoro-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]boranuide
SMILESCC(C)(C)OC(=O)CCC[B-](F)(F)F.[K+]
InChIInChI=1S/C8H15BF3O2.K/c1-8(2,3)14-7(13)5-4-6-9(10,11)12;/h4-6H2,1-3H3;/q-1;+1
InChIKeyZDABFZYBXLGXHF-UHFFFAOYSA-N
MW250.11 g/mol
LogP-0.04
Rot. Bonds4

About potassium trifluoro-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]boranuide

potassium trifluoro-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]boranuide (PubChem CID 166437332) has the molecular formula C8H15BF3KO2 and a molecular weight of 250.11 g/mol. Its IUPAC name is potassium trifluoro-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]boranuide
PubChem CID166437332
Molecular FormulaC8H15BF3KO2
Molecular Weight250.11 g/mol
Exact Mass250.08
IUPAC Namepotassium trifluoro-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]boranuide
SMILESCC(C)(C)OC(=O)CCC[B-](F)(F)F.[K+]
InChIInChI=1S/C8H15BF3O2.K/c1-8(2,3)14-7(13)5-4-6-9(10,11)12;/h4-6H2,1-3H3;/q-1;+1
InChIKeyZDABFZYBXLGXHF-UHFFFAOYSA-N
XLogP-0.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.11
LogP ≤ 5-0.04
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

ditert-butyl pentanedioate
CID 3016405
tert-butyl 8-fluorooctanoate
CID 155896225
CID 89305747
CID 89305747
tert-butyl 16-hydroxyhexadecanoate
CID 118542708
tert-butyl octacosanoate
CID 174872722
tert-butyl pentanoate;hydrazine
CID 174371267
tert-butyl 7-amino-7-oxoheptanoate
CID 88902812
7-O-amino 1-O-tert-butyl heptanedioate
CID 87227654
tert-butyl decanoate;hydrochloride
CID 172828660
8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoate
CID 22106907
tert-butyl 12-chlorododecanoate
CID 155893322
tert-butyl decanoate;hydrobromide
CID 172791977

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]boranuide?
The IUPAC name of potassium trifluoro-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]boranuide (CID 166437332) is potassium trifluoro-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]boranuide.
What is the SMILES notation for potassium trifluoro-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]boranuide?
The canonical SMILES for potassium trifluoro-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]boranuide is CC(C)(C)OC(=O)CCC[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]boranuide?
The InChIKey is ZDABFZYBXLGXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BF3O2.K/c1-8(2,3)14-7(13)5-4-6-9(10,11)12;/h4-6H2,1-3H3;/q-1;+1.
What are the key properties of potassium trifluoro-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]boranuide?
potassium trifluoro-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]boranuide has a molecular weight of 250.11 g/mol, XLogP of -0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]boranuide is sourced from PubChem (CID 166437332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).