potassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide

C9H11BF3KO2 — CID 63677653

IUPACpotassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
SMILESCOCCOc1ccc([B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C9H11BF3O2.K/c1-14-6-7-15-9-4-2-8(3-5-9)10(11,12)13;/h2-5H,6-7H2,1H3;/q-1;+1
InChIKeyFDBVEDRJLILAIR-UHFFFAOYSA-N
MW258.09 g/mol
LogP-1.23
Rot. Bonds5

About potassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide

potassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide (PubChem CID 63677653) has the molecular formula C9H11BF3KO2 and a molecular weight of 258.09 g/mol. Its IUPAC name is potassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
PubChem CID63677653
Molecular FormulaC9H11BF3KO2
Molecular Weight258.09 g/mol
Exact Mass258.04
IUPAC Namepotassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
SMILESCOCCOc1ccc([B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C9H11BF3O2.K/c1-14-6-7-15-9-4-2-8(3-5-9)10(11,12)13;/h2-5H,6-7H2,1H3;/q-1;+1
InChIKeyFDBVEDRJLILAIR-UHFFFAOYSA-N
XLogP-1.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.09
LogP ≤ 5-1.23
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

trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
CID 63677654
trifluoro-[4-(4-methoxybutoxy)phenyl]boranuide
CID 104648207
trifluoro-[4-(2-phenoxyethoxy)phenyl]boranuide
CID 63677658
potassium [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63678054
potassium trifluoro-[4-[2-(2-methylpropoxy)ethoxy]phenyl]boranuide
CID 106454185
[4-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63678055
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide
CID 65202575
potassium trifluoro-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]boranuide
CID 65202692
potassium trifluoro-[4-(2-piperidin-1-ylethoxy)phenyl]boranuide
CID 63677681
potassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 63677677
[4-(2-methoxyethoxy)phenyl]-methylidyneazanium
CID 177451533

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide?
The IUPAC name of potassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide (CID 63677653) is potassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide is COCCOc1ccc([B-](F)(F)F)cc1.[K+].
What is the InChIKey of potassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide?
The InChIKey is FDBVEDRJLILAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BF3O2.K/c1-14-6-7-15-9-4-2-8(3-5-9)10(11,12)13;/h2-5H,6-7H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide?
potassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide has a molecular weight of 258.09 g/mol, XLogP of -1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide is sourced from PubChem (CID 63677653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).