potassium (2-acetamidophenoxy)methyl-trifluoroboranuide

C9H10BF3KNO2 — CID 55232982

IUPACpotassium (2-acetamidophenoxy)methyl-trifluoroboranuide
SMILESCC(=O)Nc1ccccc1OC[B-](F)(F)F.[K+]
InChIInChI=1S/C9H10BF3NO2.K/c1-7(15)14-8-4-2-3-5-9(8)16-6-10(11,12)13;/h2-5H,6H2,1H3,(H,14,15);/q-1;+1
InChIKeyLVJALIGKAKATIO-UHFFFAOYSA-N
MW271.09 g/mol
LogP-0.59
Rot. Bonds4

About potassium (2-acetamidophenoxy)methyl-trifluoroboranuide

potassium (2-acetamidophenoxy)methyl-trifluoroboranuide (PubChem CID 55232982) has the molecular formula C9H10BF3KNO2 and a molecular weight of 271.09 g/mol. Its IUPAC name is potassium (2-acetamidophenoxy)methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (2-acetamidophenoxy)methyl-trifluoroboranuide
PubChem CID55232982
Molecular FormulaC9H10BF3KNO2
Molecular Weight271.09 g/mol
Exact Mass271.04
IUPAC Namepotassium (2-acetamidophenoxy)methyl-trifluoroboranuide
SMILESCC(=O)Nc1ccccc1OC[B-](F)(F)F.[K+]
InChIInChI=1S/C9H10BF3NO2.K/c1-7(15)14-8-4-2-3-5-9(8)16-6-10(11,12)13;/h2-5H,6H2,1H3,(H,14,15);/q-1;+1
InChIKeyLVJALIGKAKATIO-UHFFFAOYSA-N
XLogP-0.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
N-[2-[10-(2-acetamidophenoxy)decoxy]phenyl]acetamide
CID 4569719
N-[2-[2-(2-methylphenoxy)ethoxy]phenyl]acetamide
CID 9017902
methyl 3-(2-acetamidophenoxy)-2-methylpropanoate
CID 43537861
N-[2-[2-(4-fluorophenoxy)ethoxy]phenyl]acetamide
CID 7506171
(2-acetamidophenyl) hypochlorite
CID 150463309
N-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide
CID 61076230
N-[2-[2-(4-fluorophenyl)sulfanylethoxy]phenyl]acetamide
CID 9137754
N-[2-[[(3R)-3-methyloxiran-2-yl]methoxy]phenyl]acetamide
CID 141051688
N-[2-(2-prop-2-enoxyethoxy)phenyl]acetamide
CID 86096394
(E)-4-(2-acetamidophenoxy)but-2-enoic acid
CID 55065855
2-(2-acetamidophenoxy)-N,N-diethylacetamide
CID 7688277

Frequently Asked Questions

What is the IUPAC name of potassium (2-acetamidophenoxy)methyl-trifluoroboranuide?
The IUPAC name of potassium (2-acetamidophenoxy)methyl-trifluoroboranuide (CID 55232982) is potassium (2-acetamidophenoxy)methyl-trifluoroboranuide.
What is the SMILES notation for potassium (2-acetamidophenoxy)methyl-trifluoroboranuide?
The canonical SMILES for potassium (2-acetamidophenoxy)methyl-trifluoroboranuide is CC(=O)Nc1ccccc1OC[B-](F)(F)F.[K+].
What is the InChIKey of potassium (2-acetamidophenoxy)methyl-trifluoroboranuide?
The InChIKey is LVJALIGKAKATIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BF3NO2.K/c1-7(15)14-8-4-2-3-5-9(8)16-6-10(11,12)13;/h2-5H,6H2,1H3,(H,14,15);/q-1;+1.
What are the key properties of potassium (2-acetamidophenoxy)methyl-trifluoroboranuide?
potassium (2-acetamidophenoxy)methyl-trifluoroboranuide has a molecular weight of 271.09 g/mol, XLogP of -0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2-acetamidophenoxy)methyl-trifluoroboranuide is sourced from PubChem (CID 55232982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).