potassium trifluoro(phenoxymethyl)boranuide

C7H7BF3KO — CID 45479874

IUPACpotassium trifluoro(phenoxymethyl)boranuide
SMILESF[B-](F)(F)COc1ccccc1.[K+]
InChIInChI=1S/C7H7BF3O.K/c9-8(10,11)6-12-7-4-2-1-3-5-7;/h1-5H,6H2;/q-1;+1
InChIKeyOVYSNXCRBZPJIG-UHFFFAOYSA-N
MW214.04 g/mol
LogP-0.54
Rot. Bonds3

About potassium trifluoro(phenoxymethyl)boranuide

potassium trifluoro(phenoxymethyl)boranuide (PubChem CID 45479874) has the molecular formula C7H7BF3KO and a molecular weight of 214.04 g/mol. Its IUPAC name is potassium trifluoro(phenoxymethyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro(phenoxymethyl)boranuide
PubChem CID45479874
Molecular FormulaC7H7BF3KO
Molecular Weight214.04 g/mol
Exact Mass214.02
IUPAC Namepotassium trifluoro(phenoxymethyl)boranuide
SMILESF[B-](F)(F)COc1ccccc1.[K+]
InChIInChI=1S/C7H7BF3O.K/c9-8(10,11)6-12-7-4-2-1-3-5-7;/h1-5H,6H2;/q-1;+1
InChIKeyOVYSNXCRBZPJIG-UHFFFAOYSA-N
XLogP-0.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.04
LogP ≤ 5-0.54
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(phenoxymethyl)boranuide?
The IUPAC name of potassium trifluoro(phenoxymethyl)boranuide (CID 45479874) is potassium trifluoro(phenoxymethyl)boranuide.
What is the SMILES notation for potassium trifluoro(phenoxymethyl)boranuide?
The canonical SMILES for potassium trifluoro(phenoxymethyl)boranuide is F[B-](F)(F)COc1ccccc1.[K+].
What is the InChIKey of potassium trifluoro(phenoxymethyl)boranuide?
The InChIKey is OVYSNXCRBZPJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BF3O.K/c9-8(10,11)6-12-7-4-2-1-3-5-7;/h1-5H,6H2;/q-1;+1.
What are the key properties of potassium trifluoro(phenoxymethyl)boranuide?
potassium trifluoro(phenoxymethyl)boranuide has a molecular weight of 214.04 g/mol, XLogP of -0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro(phenoxymethyl)boranuide is sourced from PubChem (CID 45479874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).