potassium (2-bromophenyl)methoxymethyl-trifluoroboranuide

C8H8BBrF3KO — CID 45479876

IUPACpotassium (2-bromophenyl)methoxymethyl-trifluoroboranuide
SMILESF[B-](F)(F)COCc1ccccc1Br.[K+]
InChIInChI=1S/C8H8BBrF3O.K/c10-8-4-2-1-3-7(8)5-14-6-9(11,12)13;/h1-4H,5-6H2;/q-1;+1
InChIKeyVZPMIGIZRCCALZ-UHFFFAOYSA-N
MW306.96 g/mol
LogP0.36
Rot. Bonds4

About potassium (2-bromophenyl)methoxymethyl-trifluoroboranuide

potassium (2-bromophenyl)methoxymethyl-trifluoroboranuide (PubChem CID 45479876) has the molecular formula C8H8BBrF3KO and a molecular weight of 306.96 g/mol. Its IUPAC name is potassium (2-bromophenyl)methoxymethyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (2-bromophenyl)methoxymethyl-trifluoroboranuide
PubChem CID45479876
Molecular FormulaC8H8BBrF3KO
Molecular Weight306.96 g/mol
Exact Mass305.94
IUPAC Namepotassium (2-bromophenyl)methoxymethyl-trifluoroboranuide
SMILESF[B-](F)(F)COCc1ccccc1Br.[K+]
InChIInChI=1S/C8H8BBrF3O.K/c10-8-4-2-1-3-7(8)5-14-6-9(11,12)13;/h1-4H,5-6H2;/q-1;+1
InChIKeyVZPMIGIZRCCALZ-UHFFFAOYSA-N
XLogP0.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.96
LogP ≤ 50.36
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

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1-bromo-2-[2-(2-bromophenoxy)ethoxymethyl]benzene
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CID 82831956
1-bromo-2-[[(E)-4-chlorobut-2-enoxy]methyl]benzene
CID 82828251
2-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide
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Frequently Asked Questions

What is the IUPAC name of potassium (2-bromophenyl)methoxymethyl-trifluoroboranuide?
The IUPAC name of potassium (2-bromophenyl)methoxymethyl-trifluoroboranuide (CID 45479876) is potassium (2-bromophenyl)methoxymethyl-trifluoroboranuide.
What is the SMILES notation for potassium (2-bromophenyl)methoxymethyl-trifluoroboranuide?
The canonical SMILES for potassium (2-bromophenyl)methoxymethyl-trifluoroboranuide is F[B-](F)(F)COCc1ccccc1Br.[K+].
What is the InChIKey of potassium (2-bromophenyl)methoxymethyl-trifluoroboranuide?
The InChIKey is VZPMIGIZRCCALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BBrF3O.K/c10-8-4-2-1-3-7(8)5-14-6-9(11,12)13;/h1-4H,5-6H2;/q-1;+1.
What are the key properties of potassium (2-bromophenyl)methoxymethyl-trifluoroboranuide?
potassium (2-bromophenyl)methoxymethyl-trifluoroboranuide has a molecular weight of 306.96 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2-bromophenyl)methoxymethyl-trifluoroboranuide is sourced from PubChem (CID 45479876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).