potassium trifluoro-[(4-phenylphenoxy)methyl]boranuide

C13H11BF3KO — CID 63705482

IUPACpotassium trifluoro-[(4-phenylphenoxy)methyl]boranuide
SMILESF[B-](F)(F)COc1ccc(-c2ccccc2)cc1.[K+]
InChIInChI=1S/C13H11BF3O.K/c15-14(16,17)10-18-13-8-6-12(7-9-13)11-4-2-1-3-5-11;/h1-9H,10H2;/q-1;+1
InChIKeyACQMLZLSBQLELC-UHFFFAOYSA-N
MW290.13 g/mol
LogP1.12
Rot. Bonds4

About potassium trifluoro-[(4-phenylphenoxy)methyl]boranuide

potassium trifluoro-[(4-phenylphenoxy)methyl]boranuide (PubChem CID 63705482) has the molecular formula C13H11BF3KO and a molecular weight of 290.13 g/mol. Its IUPAC name is potassium trifluoro-[(4-phenylphenoxy)methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(4-phenylphenoxy)methyl]boranuide
PubChem CID63705482
Molecular FormulaC13H11BF3KO
Molecular Weight290.13 g/mol
Exact Mass290.05
IUPAC Namepotassium trifluoro-[(4-phenylphenoxy)methyl]boranuide
SMILESF[B-](F)(F)COc1ccc(-c2ccccc2)cc1.[K+]
InChIInChI=1S/C13H11BF3O.K/c15-14(16,17)10-18-13-8-6-12(7-9-13)11-4-2-1-3-5-11;/h1-9H,10H2;/q-1;+1
InChIKeyACQMLZLSBQLELC-UHFFFAOYSA-N
XLogP1.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

potassium (4-tert-butylphenoxy)methyl-trifluoroboranuide
CID 63704684
(4-phenylphenoxy)methanol
CID 71028246
trifluoro-[(4-propoxyphenoxy)methyl]boranuide
CID 63701544
trifluoro-[(3-phenoxyphenoxy)methyl]boranuide
CID 63702596
1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 86003700
potassium trifluoro-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]boranuide
CID 63703366
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
1-(ethoxymethoxy)-4-phenylbenzene
CID 146557132
trifluoro-[4-(2-phenoxyethoxy)phenyl]boranuide
CID 63677658
1-(3-bromo-2,2-dimethylpropoxy)-4-phenylbenzene
CID 64995461
1-pentoxy-4-phenylbenzene
CID 7021155
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[(4-phenylphenoxy)methyl]boranuide?
The IUPAC name of potassium trifluoro-[(4-phenylphenoxy)methyl]boranuide (CID 63705482) is potassium trifluoro-[(4-phenylphenoxy)methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(4-phenylphenoxy)methyl]boranuide?
The canonical SMILES for potassium trifluoro-[(4-phenylphenoxy)methyl]boranuide is F[B-](F)(F)COc1ccc(-c2ccccc2)cc1.[K+].
What is the InChIKey of potassium trifluoro-[(4-phenylphenoxy)methyl]boranuide?
The InChIKey is ACQMLZLSBQLELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BF3O.K/c15-14(16,17)10-18-13-8-6-12(7-9-13)11-4-2-1-3-5-11;/h1-9H,10H2;/q-1;+1.
What are the key properties of potassium trifluoro-[(4-phenylphenoxy)methyl]boranuide?
potassium trifluoro-[(4-phenylphenoxy)methyl]boranuide has a molecular weight of 290.13 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(4-phenylphenoxy)methyl]boranuide is sourced from PubChem (CID 63705482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).