potassium (2,6-dichlorophenoxy)methyl-trifluoroboranuide

C7H5BCl2F3KO — CID 63702080

IUPACpotassium (2,6-dichlorophenoxy)methyl-trifluoroboranuide
SMILESF[B-](F)(F)COc1c(Cl)cccc1Cl.[K+]
InChIInChI=1S/C7H5BCl2F3O.K/c9-5-2-1-3-6(10)7(5)14-4-8(11,12)13;/h1-3H,4H2;/q-1;+1
InChIKeyOQRJMCTWMUHYIX-UHFFFAOYSA-N
MW282.93 g/mol
LogP0.76
Rot. Bonds3

About potassium (2,6-dichlorophenoxy)methyl-trifluoroboranuide

potassium (2,6-dichlorophenoxy)methyl-trifluoroboranuide (PubChem CID 63702080) has the molecular formula C7H5BCl2F3KO and a molecular weight of 282.93 g/mol. Its IUPAC name is potassium (2,6-dichlorophenoxy)methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (2,6-dichlorophenoxy)methyl-trifluoroboranuide
PubChem CID63702080
Molecular FormulaC7H5BCl2F3KO
Molecular Weight282.93 g/mol
Exact Mass281.94
IUPAC Namepotassium (2,6-dichlorophenoxy)methyl-trifluoroboranuide
SMILESF[B-](F)(F)COc1c(Cl)cccc1Cl.[K+]
InChIInChI=1S/C7H5BCl2F3O.K/c9-5-2-1-3-6(10)7(5)14-4-8(11,12)13;/h1-3H,4H2;/q-1;+1
InChIKeyOQRJMCTWMUHYIX-UHFFFAOYSA-N
XLogP0.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.93
LogP ≤ 50.76
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 (2,6-dichlorophenoxy)methyl-trifluoroboranuide?
The IUPAC name of potassium (2,6-dichlorophenoxy)methyl-trifluoroboranuide (CID 63702080) is potassium (2,6-dichlorophenoxy)methyl-trifluoroboranuide.
What is the SMILES notation for potassium (2,6-dichlorophenoxy)methyl-trifluoroboranuide?
The canonical SMILES for potassium (2,6-dichlorophenoxy)methyl-trifluoroboranuide is F[B-](F)(F)COc1c(Cl)cccc1Cl.[K+].
What is the InChIKey of potassium (2,6-dichlorophenoxy)methyl-trifluoroboranuide?
The InChIKey is OQRJMCTWMUHYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BCl2F3O.K/c9-5-2-1-3-6(10)7(5)14-4-8(11,12)13;/h1-3H,4H2;/q-1;+1.
What are the key properties of potassium (2,6-dichlorophenoxy)methyl-trifluoroboranuide?
potassium (2,6-dichlorophenoxy)methyl-trifluoroboranuide has a molecular weight of 282.93 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2,6-dichlorophenoxy)methyl-trifluoroboranuide is sourced from PubChem (CID 63702080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).