potassium trifluoro-(4-phenylmethoxyphenyl)boranuide

C13H11BF3KO — CID 23716867

IUPACpotassium trifluoro-(4-phenylmethoxyphenyl)boranuide
SMILESF[B-](F)(F)c1ccc(OCc2ccccc2)cc1.[K+]
InChIInChI=1S/C13H11BF3O.K/c15-14(16,17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11;/h1-9H,10H2;/q-1;+1
InChIKeyPMDBNNXIBAIJMQ-UHFFFAOYSA-N
MW290.13 g/mol
LogP0.32
Rot. Bonds4

About potassium trifluoro-(4-phenylmethoxyphenyl)boranuide

potassium trifluoro-(4-phenylmethoxyphenyl)boranuide (PubChem CID 23716867) has the molecular formula C13H11BF3KO and a molecular weight of 290.13 g/mol. Its IUPAC name is potassium trifluoro-(4-phenylmethoxyphenyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro-(4-phenylmethoxyphenyl)boranuide
PubChem CID23716867
Molecular FormulaC13H11BF3KO
Molecular Weight290.13 g/mol
Exact Mass290.05
IUPAC Namepotassium trifluoro-(4-phenylmethoxyphenyl)boranuide
SMILESF[B-](F)(F)c1ccc(OCc2ccccc2)cc1.[K+]
InChIInChI=1S/C13H11BF3O.K/c15-14(16,17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11;/h1-9H,10H2;/q-1;+1
InChIKeyPMDBNNXIBAIJMQ-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-(4-phenylmethoxyphenyl)boranuide?
The IUPAC name of potassium trifluoro-(4-phenylmethoxyphenyl)boranuide (CID 23716867) is potassium trifluoro-(4-phenylmethoxyphenyl)boranuide.
What is the SMILES notation for potassium trifluoro-(4-phenylmethoxyphenyl)boranuide?
The canonical SMILES for potassium trifluoro-(4-phenylmethoxyphenyl)boranuide is F[B-](F)(F)c1ccc(OCc2ccccc2)cc1.[K+].
What is the InChIKey of potassium trifluoro-(4-phenylmethoxyphenyl)boranuide?
The InChIKey is PMDBNNXIBAIJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BF3O.K/c15-14(16,17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11;/h1-9H,10H2;/q-1;+1.
What are the key properties of potassium trifluoro-(4-phenylmethoxyphenyl)boranuide?
potassium trifluoro-(4-phenylmethoxyphenyl)boranuide has a molecular weight of 290.13 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-(4-phenylmethoxyphenyl)boranuide is sourced from PubChem (CID 23716867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).