potassium trifluoro-(4-methoxyphenyl)boranuide

C7H7BF3KO — CID 23683762

IUPACpotassium trifluoro-(4-methoxyphenyl)boranuide
SMILESCOc1ccc([B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C7H7BF3O.K/c1-12-7-4-2-6(3-5-7)8(9,10)11;/h2-5H,1H3;/q-1;+1
InChIKeyXNYMCUFKZHRYID-UHFFFAOYSA-N
MW214.04 g/mol
LogP-1.25
Rot. Bonds2

About potassium trifluoro-(4-methoxyphenyl)boranuide

potassium trifluoro-(4-methoxyphenyl)boranuide (PubChem CID 23683762) has the molecular formula C7H7BF3KO and a molecular weight of 214.04 g/mol. Its IUPAC name is potassium trifluoro-(4-methoxyphenyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro-(4-methoxyphenyl)boranuide
PubChem CID23683762
Molecular FormulaC7H7BF3KO
Molecular Weight214.04 g/mol
Exact Mass214.02
IUPAC Namepotassium trifluoro-(4-methoxyphenyl)boranuide
SMILESCOc1ccc([B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C7H7BF3O.K/c1-12-7-4-2-6(3-5-7)8(9,10)11;/h2-5H,1H3;/q-1;+1
InChIKeyXNYMCUFKZHRYID-UHFFFAOYSA-N
XLogP-1.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.04
LogP ≤ 5-1.25
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-methoxyphenyl)boranuide?
The IUPAC name of potassium trifluoro-(4-methoxyphenyl)boranuide (CID 23683762) is potassium trifluoro-(4-methoxyphenyl)boranuide.
What is the SMILES notation for potassium trifluoro-(4-methoxyphenyl)boranuide?
The canonical SMILES for potassium trifluoro-(4-methoxyphenyl)boranuide is COc1ccc([B-](F)(F)F)cc1.[K+].
What is the InChIKey of potassium trifluoro-(4-methoxyphenyl)boranuide?
The InChIKey is XNYMCUFKZHRYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BF3O.K/c1-12-7-4-2-6(3-5-7)8(9,10)11;/h2-5H,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-(4-methoxyphenyl)boranuide?
potassium trifluoro-(4-methoxyphenyl)boranuide has a molecular weight of 214.04 g/mol, XLogP of -1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-(4-methoxyphenyl)boranuide is sourced from PubChem (CID 23683762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).