potassium [4-[(2,5-difluorophenyl)methoxy]phenyl]-trifluoroboranuide

C13H9BF5KO — CID 63678052

IUPACpotassium [4-[(2,5-difluorophenyl)methoxy]phenyl]-trifluoroboranuide
SMILESFc1ccc(F)c(COc2ccc([B-](F)(F)F)cc2)c1.[K+]
InChIInChI=1S/C13H9BF5O.K/c15-11-3-6-13(16)9(7-11)8-20-12-4-1-10(2-5-12)14(17,18)19;/h1-7H,8H2;/q-1;+1
InChIKeyKJUQRHCBQBFSOL-UHFFFAOYSA-N
MW326.11 g/mol
LogP0.60
Rot. Bonds4

About potassium [4-[(2,5-difluorophenyl)methoxy]phenyl]-trifluoroboranuide

potassium [4-[(2,5-difluorophenyl)methoxy]phenyl]-trifluoroboranuide (PubChem CID 63678052) has the molecular formula C13H9BF5KO and a molecular weight of 326.11 g/mol. Its IUPAC name is potassium [4-[(2,5-difluorophenyl)methoxy]phenyl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [4-[(2,5-difluorophenyl)methoxy]phenyl]-trifluoroboranuide
PubChem CID63678052
Molecular FormulaC13H9BF5KO
Molecular Weight326.11 g/mol
Exact Mass326.03
IUPAC Namepotassium [4-[(2,5-difluorophenyl)methoxy]phenyl]-trifluoroboranuide
SMILESFc1ccc(F)c(COc2ccc([B-](F)(F)F)cc2)c1.[K+]
InChIInChI=1S/C13H9BF5O.K/c15-11-3-6-13(16)9(7-11)8-20-12-4-1-10(2-5-12)14(17,18)19;/h1-7H,8H2;/q-1;+1
InChIKeyKJUQRHCBQBFSOL-UHFFFAOYSA-N
XLogP0.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 50.60
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 [4-[(2,5-difluorophenyl)methoxy]phenyl]-trifluoroboranuide?
The IUPAC name of potassium [4-[(2,5-difluorophenyl)methoxy]phenyl]-trifluoroboranuide (CID 63678052) is potassium [4-[(2,5-difluorophenyl)methoxy]phenyl]-trifluoroboranuide.
What is the SMILES notation for potassium [4-[(2,5-difluorophenyl)methoxy]phenyl]-trifluoroboranuide?
The canonical SMILES for potassium [4-[(2,5-difluorophenyl)methoxy]phenyl]-trifluoroboranuide is Fc1ccc(F)c(COc2ccc([B-](F)(F)F)cc2)c1.[K+].
What is the InChIKey of potassium [4-[(2,5-difluorophenyl)methoxy]phenyl]-trifluoroboranuide?
The InChIKey is KJUQRHCBQBFSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BF5O.K/c15-11-3-6-13(16)9(7-11)8-20-12-4-1-10(2-5-12)14(17,18)19;/h1-7H,8H2;/q-1;+1.
What are the key properties of potassium [4-[(2,5-difluorophenyl)methoxy]phenyl]-trifluoroboranuide?
potassium [4-[(2,5-difluorophenyl)methoxy]phenyl]-trifluoroboranuide has a molecular weight of 326.11 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [4-[(2,5-difluorophenyl)methoxy]phenyl]-trifluoroboranuide is sourced from PubChem (CID 63678052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).