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

C10H13BF3KO2 — CID 63676799

IUPACpotassium [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide
SMILESCCOCCOc1ccccc1[B-](F)(F)F.[K+]
InChIInChI=1S/C10H13BF3O2.K/c1-2-15-7-8-16-10-6-4-3-5-9(10)11(12,13)14;/h3-6H,2,7-8H2,1H3;/q-1;+1
InChIKeyNKTMCXDYAXWIPU-UHFFFAOYSA-N
MW272.12 g/mol
LogP-0.84
Rot. Bonds6

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

potassium [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide (PubChem CID 63676799) has the molecular formula C10H13BF3KO2 and a molecular weight of 272.12 g/mol. Its IUPAC name is potassium [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide
PubChem CID63676799
Molecular FormulaC10H13BF3KO2
Molecular Weight272.12 g/mol
Exact Mass272.06
IUPAC Namepotassium [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide
SMILESCCOCCOc1ccccc1[B-](F)(F)F.[K+]
InChIInChI=1S/C10H13BF3O2.K/c1-2-15-7-8-16-10-6-4-3-5-9(10)11(12,13)14;/h3-6H,2,7-8H2,1H3;/q-1;+1
InChIKeyNKTMCXDYAXWIPU-UHFFFAOYSA-N
XLogP-0.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide
CID 63676800
potassium trifluoro-(2-octoxyphenyl)boranuide
CID 63676201
potassium [2-(2-ethylsulfonylethoxy)phenyl]-trifluoroboranuide
CID 106726730
trifluoro-[2-(3-methoxypropoxy)phenyl]boranuide
CID 63676844
potassium trifluoro-[2-(4-methylpentoxy)phenyl]boranuide
CID 83158350
1-(2-ethoxyethoxy)-2-methoxybenzene
CID 57249631
potassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide
CID 63677023
tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris[2-(2-ethoxyethoxy)phenyl]selanium
CID 139829816
1-(2-ethoxyethoxy)-2-pent-1-en-2-ylbenzene
CID 139905492
[2-(2-ethoxyethoxy)phenyl]-diphenylsulfanium
CID 139829675
potassium trifluoro-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide
CID 114528509
trifluoro-[2-(2,2,2-trifluoroethoxy)phenyl]boranuide
CID 55233972

Frequently Asked Questions

What is the IUPAC name of potassium [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide?
The IUPAC name of potassium [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide (CID 63676799) is potassium [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide.
What is the SMILES notation for potassium [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide?
The canonical SMILES for potassium [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide is CCOCCOc1ccccc1[B-](F)(F)F.[K+].
What is the InChIKey of potassium [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide?
The InChIKey is NKTMCXDYAXWIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BF3O2.K/c1-2-15-7-8-16-10-6-4-3-5-9(10)11(12,13)14;/h3-6H,2,7-8H2,1H3;/q-1;+1.
What are the key properties of potassium [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide?
potassium [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide has a molecular weight of 272.12 g/mol, XLogP of -0.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide is sourced from PubChem (CID 63676799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).