potassium [2-(2-ethylsulfonylethoxy)phenyl]-trifluoroboranuide

C10H13BF3KO3S — CID 106726730

IUPACpotassium [2-(2-ethylsulfonylethoxy)phenyl]-trifluoroboranuide
SMILESCCS(=O)(=O)CCOc1ccccc1[B-](F)(F)F.[K+]
InChIInChI=1S/C10H13BF3O3S.K/c1-2-18(15,16)8-7-17-10-6-4-3-5-9(10)11(12,13)14;/h3-6H,2,7-8H2,1H3;/q-1;+1
InChIKeyMBUHHDBXFDFXDC-UHFFFAOYSA-N
MW320.18 g/mol
LogP-1.44
Rot. Bonds6

About potassium [2-(2-ethylsulfonylethoxy)phenyl]-trifluoroboranuide

potassium [2-(2-ethylsulfonylethoxy)phenyl]-trifluoroboranuide (PubChem CID 106726730) has the molecular formula C10H13BF3KO3S and a molecular weight of 320.18 g/mol. Its IUPAC name is potassium [2-(2-ethylsulfonylethoxy)phenyl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [2-(2-ethylsulfonylethoxy)phenyl]-trifluoroboranuide
PubChem CID106726730
Molecular FormulaC10H13BF3KO3S
Molecular Weight320.18 g/mol
Exact Mass320.03
IUPAC Namepotassium [2-(2-ethylsulfonylethoxy)phenyl]-trifluoroboranuide
SMILESCCS(=O)(=O)CCOc1ccccc1[B-](F)(F)F.[K+]
InChIInChI=1S/C10H13BF3O3S.K/c1-2-18(15,16)8-7-17-10-6-4-3-5-9(10)11(12,13)14;/h3-6H,2,7-8H2,1H3;/q-1;+1
InChIKeyMBUHHDBXFDFXDC-UHFFFAOYSA-N
XLogP-1.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 5-1.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium [2-(2-ethylsulfonylethoxy)-4-fluorophenyl]-trifluoroboranuide
CID 106726802
potassium trifluoro-(2-octoxyphenyl)boranuide
CID 63676201
potassium [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide
CID 63676799
[2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide
CID 63676800
trifluoro-[2-(3-methoxypropoxy)phenyl]boranuide
CID 63676844
potassium trifluoro-[2-(4-methylpentoxy)phenyl]boranuide
CID 83158350
potassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide
CID 63677023
2-(2-ethylsulfonylethoxy)-N'-hydroxybenzenecarboximidamide
CID 54914844
2-(2-propylsulfonylethoxy)phenol
CID 106726690
1-ethyl-2-(2-propylsulfonylethoxy)benzene
CID 106732626
1-(2-propylsulfonylethoxy)naphthalene
CID 106732634
1-propan-2-yl-2-(2-propylsulfonylethoxy)benzene
CID 106732629

Frequently Asked Questions

What is the IUPAC name of potassium [2-(2-ethylsulfonylethoxy)phenyl]-trifluoroboranuide?
The IUPAC name of potassium [2-(2-ethylsulfonylethoxy)phenyl]-trifluoroboranuide (CID 106726730) is potassium [2-(2-ethylsulfonylethoxy)phenyl]-trifluoroboranuide.
What is the SMILES notation for potassium [2-(2-ethylsulfonylethoxy)phenyl]-trifluoroboranuide?
The canonical SMILES for potassium [2-(2-ethylsulfonylethoxy)phenyl]-trifluoroboranuide is CCS(=O)(=O)CCOc1ccccc1[B-](F)(F)F.[K+].
What is the InChIKey of potassium [2-(2-ethylsulfonylethoxy)phenyl]-trifluoroboranuide?
The InChIKey is MBUHHDBXFDFXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BF3O3S.K/c1-2-18(15,16)8-7-17-10-6-4-3-5-9(10)11(12,13)14;/h3-6H,2,7-8H2,1H3;/q-1;+1.
What are the key properties of potassium [2-(2-ethylsulfonylethoxy)phenyl]-trifluoroboranuide?
potassium [2-(2-ethylsulfonylethoxy)phenyl]-trifluoroboranuide has a molecular weight of 320.18 g/mol, XLogP of -1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [2-(2-ethylsulfonylethoxy)phenyl]-trifluoroboranuide is sourced from PubChem (CID 106726730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).