potassium trifluoro-[5-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]boranuide

C10H10BF6KO3 — CID 104706284

IUPACpotassium trifluoro-[5-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]boranuide
SMILESCOc1ccc(OCCOC(F)(F)F)c([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C10H10BF6O3.K/c1-18-7-2-3-9(8(6-7)11(15,16)17)19-4-5-20-10(12,13)14;/h2-3,6H,4-5H2,1H3;/q-1;+1
InChIKeyDLKZYQYIFBQDCV-UHFFFAOYSA-N
MW342.09 g/mol
LogP-0.33
Rot. Bonds6

About potassium trifluoro-[5-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]boranuide

potassium trifluoro-[5-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]boranuide (PubChem CID 104706284) has the molecular formula C10H10BF6KO3 and a molecular weight of 342.09 g/mol. Its IUPAC name is potassium trifluoro-[5-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[5-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]boranuide
PubChem CID104706284
Molecular FormulaC10H10BF6KO3
Molecular Weight342.09 g/mol
Exact Mass342.03
IUPAC Namepotassium trifluoro-[5-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]boranuide
SMILESCOc1ccc(OCCOC(F)(F)F)c([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C10H10BF6O3.K/c1-18-7-2-3-9(8(6-7)11(15,16)17)19-4-5-20-10(12,13)14;/h2-3,6H,4-5H2,1H3;/q-1;+1
InChIKeyDLKZYQYIFBQDCV-UHFFFAOYSA-N
XLogP-0.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.09
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[5-methoxy-2-(2-methoxyethoxy)phenyl]boranuide
CID 104706273
potassium trifluoro-[5-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]boranuide
CID 104706270
[2-[3-(dimethylamino)propoxy]-5-methoxyphenyl]-trifluoroboranuide
CID 114525803
1-[4-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]ethanone
CID 82001830
potassium trifluoro-[5-methoxy-2-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]boranuide
CID 114279067
potassium trifluoro-[5-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]boranuide
CID 113443476
2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene
CID 58550881
potassium trifluoro-[5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135604
potassium [2-[(2-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]-trifluoroboranuide
CID 113443488
3-[4-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]prop-2-enoic acid
CID 77100285
trifluoro-[5-methoxy-2-(pyridin-3-ylmethoxy)phenyl]boranuide
CID 104706185
potassium trifluoro-[5-methyl-2-(4,4,4-trifluorobutoxy)phenyl]boranuide
CID 115514502

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[5-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]boranuide?
The IUPAC name of potassium trifluoro-[5-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]boranuide (CID 104706284) is potassium trifluoro-[5-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[5-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[5-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]boranuide is COc1ccc(OCCOC(F)(F)F)c([B-](F)(F)F)c1.[K+].
What is the InChIKey of potassium trifluoro-[5-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]boranuide?
The InChIKey is DLKZYQYIFBQDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BF6O3.K/c1-18-7-2-3-9(8(6-7)11(15,16)17)19-4-5-20-10(12,13)14;/h2-3,6H,4-5H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[5-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]boranuide?
potassium trifluoro-[5-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]boranuide has a molecular weight of 342.09 g/mol, XLogP of -0.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[5-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]boranuide is sourced from PubChem (CID 104706284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).