potassium (4-tert-butylphenoxy)methyl-trifluoroboranuide

C11H15BF3KO — CID 63704684

IUPACpotassium (4-tert-butylphenoxy)methyl-trifluoroboranuide
SMILESCC(C)(C)c1ccc(OC[B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C11H15BF3O.K/c1-11(2,3)9-4-6-10(7-5-9)16-8-12(13,14)15;/h4-7H,8H2,1-3H3;/q-1;+1
InChIKeyJLJFWBKZDCUDKL-UHFFFAOYSA-N
MW270.14 g/mol
LogP0.75
Rot. Bonds3

About potassium (4-tert-butylphenoxy)methyl-trifluoroboranuide

potassium (4-tert-butylphenoxy)methyl-trifluoroboranuide (PubChem CID 63704684) has the molecular formula C11H15BF3KO and a molecular weight of 270.14 g/mol. Its IUPAC name is potassium (4-tert-butylphenoxy)methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (4-tert-butylphenoxy)methyl-trifluoroboranuide
PubChem CID63704684
Molecular FormulaC11H15BF3KO
Molecular Weight270.14 g/mol
Exact Mass270.08
IUPAC Namepotassium (4-tert-butylphenoxy)methyl-trifluoroboranuide
SMILESCC(C)(C)c1ccc(OC[B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C11H15BF3O.K/c1-11(2,3)9-4-6-10(7-5-9)16-8-12(13,14)15;/h4-7H,8H2,1-3H3;/q-1;+1
InChIKeyJLJFWBKZDCUDKL-UHFFFAOYSA-N
XLogP0.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

potassium trifluoro-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]boranuide
CID 63703366
trifluoro-[(4-propoxyphenoxy)methyl]boranuide
CID 63701544
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
1-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963
potassium (4-chloro-3-ethylphenoxy)methyl-trifluoroboranuide
CID 63701817
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
1-(4-tert-butylphenoxy)-N,2-dimethylpropan-2-amine
CID 94686640
1-[(E)-but-2-enoxy]-4-tert-butylbenzene
CID 59776904
1-tert-butyl-4-(3-deuteriopropoxy)benzene
CID 177106772
1-tert-butyl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 64765867
potassium (3-ethylphenoxy)methyl-trifluoroboranuide
CID 63703906
2-(4-tert-butylphenoxy)acetyl chloride
CID 611195

Frequently Asked Questions

What is the IUPAC name of potassium (4-tert-butylphenoxy)methyl-trifluoroboranuide?
The IUPAC name of potassium (4-tert-butylphenoxy)methyl-trifluoroboranuide (CID 63704684) is potassium (4-tert-butylphenoxy)methyl-trifluoroboranuide.
What is the SMILES notation for potassium (4-tert-butylphenoxy)methyl-trifluoroboranuide?
The canonical SMILES for potassium (4-tert-butylphenoxy)methyl-trifluoroboranuide is CC(C)(C)c1ccc(OC[B-](F)(F)F)cc1.[K+].
What is the InChIKey of potassium (4-tert-butylphenoxy)methyl-trifluoroboranuide?
The InChIKey is JLJFWBKZDCUDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BF3O.K/c1-11(2,3)9-4-6-10(7-5-9)16-8-12(13,14)15;/h4-7H,8H2,1-3H3;/q-1;+1.
What are the key properties of potassium (4-tert-butylphenoxy)methyl-trifluoroboranuide?
potassium (4-tert-butylphenoxy)methyl-trifluoroboranuide has a molecular weight of 270.14 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (4-tert-butylphenoxy)methyl-trifluoroboranuide is sourced from PubChem (CID 63704684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).