potassium trifluoro-(4-hexoxy-3-methylphenyl)boranuide

C13H19BF3KO — CID 63675475

IUPACpotassium trifluoro-(4-hexoxy-3-methylphenyl)boranuide
SMILESCCCCCCOc1ccc([B-](F)(F)F)cc1C.[K+]
InChIInChI=1S/C13H19BF3O.K/c1-3-4-5-6-9-18-13-8-7-12(10-11(13)2)14(15,16)17;/h7-8,10H,3-6,9H2,1-2H3;/q-1;+1
InChIKeyIVQTYCLVCJDCJC-UHFFFAOYSA-N
MW298.20 g/mol
LogP1.01
Rot. Bonds7

About potassium trifluoro-(4-hexoxy-3-methylphenyl)boranuide

potassium trifluoro-(4-hexoxy-3-methylphenyl)boranuide (PubChem CID 63675475) has the molecular formula C13H19BF3KO and a molecular weight of 298.20 g/mol. Its IUPAC name is potassium trifluoro-(4-hexoxy-3-methylphenyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro-(4-hexoxy-3-methylphenyl)boranuide
PubChem CID63675475
Molecular FormulaC13H19BF3KO
Molecular Weight298.20 g/mol
Exact Mass298.11
IUPAC Namepotassium trifluoro-(4-hexoxy-3-methylphenyl)boranuide
SMILESCCCCCCOc1ccc([B-](F)(F)F)cc1C.[K+]
InChIInChI=1S/C13H19BF3O.K/c1-3-4-5-6-9-18-13-8-7-12(10-11(13)2)14(15,16)17;/h7-8,10H,3-6,9H2,1-2H3;/q-1;+1
InChIKeyIVQTYCLVCJDCJC-UHFFFAOYSA-N
XLogP1.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(3-methyl-4-pentoxyphenyl)boranuide
CID 63677890
trifluoro-[4-(4-methoxybutoxy)-3-methylphenyl]boranuide
CID 104648209
[4-(3-ethylsulfonylpropoxy)-3-methylphenyl]-trifluoroboranuide
CID 65098183
potassium trifluoro-[3-methyl-4-(3-methylsulfonylpropoxy)phenyl]boranuide
CID 63678251
potassium trifluoro-[4-(methoxymethoxy)-3-methylphenyl]boranuide
CID 65364399
potassium trifluoro-(4-hexoxyphenyl)boranuide
CID 63677675
potassium trifluoro-[3-methyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]boranuide
CID 106454189
potassium trifluoro-[3-methyl-4-(2-methylpropoxy)phenyl]boranuide
CID 63677895
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
2-methyl-1-octoxy-4-phenylbenzene
CID 23393452
potassium trifluoro-(3-pentoxyphenyl)boranuide
CID 63676807
trifluoro-[3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]boranuide
CID 63676415

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-(4-hexoxy-3-methylphenyl)boranuide?
The IUPAC name of potassium trifluoro-(4-hexoxy-3-methylphenyl)boranuide (CID 63675475) is potassium trifluoro-(4-hexoxy-3-methylphenyl)boranuide.
What is the SMILES notation for potassium trifluoro-(4-hexoxy-3-methylphenyl)boranuide?
The canonical SMILES for potassium trifluoro-(4-hexoxy-3-methylphenyl)boranuide is CCCCCCOc1ccc([B-](F)(F)F)cc1C.[K+].
What is the InChIKey of potassium trifluoro-(4-hexoxy-3-methylphenyl)boranuide?
The InChIKey is IVQTYCLVCJDCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BF3O.K/c1-3-4-5-6-9-18-13-8-7-12(10-11(13)2)14(15,16)17;/h7-8,10H,3-6,9H2,1-2H3;/q-1;+1.
What are the key properties of potassium trifluoro-(4-hexoxy-3-methylphenyl)boranuide?
potassium trifluoro-(4-hexoxy-3-methylphenyl)boranuide has a molecular weight of 298.20 g/mol, XLogP of 1.01, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-(4-hexoxy-3-methylphenyl)boranuide is sourced from PubChem (CID 63675475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).