potassium [3-(ethoxymethoxy)phenyl]-trifluoroboranuide

C9H11BF3KO2 — CID 65369936

IUPACpotassium [3-(ethoxymethoxy)phenyl]-trifluoroboranuide
SMILESCCOCOc1cccc([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C9H11BF3O2.K/c1-2-14-7-15-9-5-3-4-8(6-9)10(11,12)13;/h3-6H,2,7H2,1H3;/q-1;+1
InChIKeyJOZNIJRXPMXDLP-UHFFFAOYSA-N
MW258.09 g/mol
LogP-0.88
Rot. Bonds5

About potassium [3-(ethoxymethoxy)phenyl]-trifluoroboranuide

potassium [3-(ethoxymethoxy)phenyl]-trifluoroboranuide (PubChem CID 65369936) has the molecular formula C9H11BF3KO2 and a molecular weight of 258.09 g/mol. Its IUPAC name is potassium [3-(ethoxymethoxy)phenyl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [3-(ethoxymethoxy)phenyl]-trifluoroboranuide
PubChem CID65369936
Molecular FormulaC9H11BF3KO2
Molecular Weight258.09 g/mol
Exact Mass258.04
IUPAC Namepotassium [3-(ethoxymethoxy)phenyl]-trifluoroboranuide
SMILESCCOCOc1cccc([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C9H11BF3O2.K/c1-2-14-7-15-9-5-3-4-8(6-9)10(11,12)13;/h3-6H,2,7H2,1H3;/q-1;+1
InChIKeyJOZNIJRXPMXDLP-UHFFFAOYSA-N
XLogP-0.88
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 ≤ 5-0.88
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

potassium (3-butoxyphenyl)-trifluoroboranuide
CID 63678259
trifluoro-(3-propoxyphenyl)boranuide
CID 63676814
potassium trifluoro-(3-pentoxyphenyl)boranuide
CID 63676807
[3-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63675848
potassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide
CID 114525782
potassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 63678267
(3-but-2-enoxyphenyl)-trifluoroboranuide
CID 77016963
potassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide
CID 63678299
trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]phenyl]boranuide
CID 103180900
1-(ethoxymethoxy)-4-phenylbenzene
CID 146557132
potassium trifluoro-[3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide
CID 115982175
2-[3-(ethoxymethoxy)phenyl]acetic acid
CID 65364927

Frequently Asked Questions

What is the IUPAC name of potassium [3-(ethoxymethoxy)phenyl]-trifluoroboranuide?
The IUPAC name of potassium [3-(ethoxymethoxy)phenyl]-trifluoroboranuide (CID 65369936) is potassium [3-(ethoxymethoxy)phenyl]-trifluoroboranuide.
What is the SMILES notation for potassium [3-(ethoxymethoxy)phenyl]-trifluoroboranuide?
The canonical SMILES for potassium [3-(ethoxymethoxy)phenyl]-trifluoroboranuide is CCOCOc1cccc([B-](F)(F)F)c1.[K+].
What is the InChIKey of potassium [3-(ethoxymethoxy)phenyl]-trifluoroboranuide?
The InChIKey is JOZNIJRXPMXDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BF3O2.K/c1-2-14-7-15-9-5-3-4-8(6-9)10(11,12)13;/h3-6H,2,7H2,1H3;/q-1;+1.
What are the key properties of potassium [3-(ethoxymethoxy)phenyl]-trifluoroboranuide?
potassium [3-(ethoxymethoxy)phenyl]-trifluoroboranuide has a molecular weight of 258.09 g/mol, XLogP of -0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [3-(ethoxymethoxy)phenyl]-trifluoroboranuide is sourced from PubChem (CID 65369936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).