potassium trifluoro-(4-oxochromen-6-yl)boranuide

C9H5BF3KO2 — CID 135072845

IUPACpotassium trifluoro-(4-oxochromen-6-yl)boranuide
SMILESO=c1ccoc2ccc([B-](F)(F)F)cc12.[K+]
InChIInChI=1S/C9H5BF3O2.K/c11-10(12,13)6-1-2-9-7(5-6)8(14)3-4-15-9;/h1-5H;/q-1;+1
InChIKeyZYBBNNVDFIMBBE-UHFFFAOYSA-N
MW252.04 g/mol
LogP-1.15
Rot. Bonds1

About potassium trifluoro-(4-oxochromen-6-yl)boranuide

potassium trifluoro-(4-oxochromen-6-yl)boranuide (PubChem CID 135072845) has the molecular formula C9H5BF3KO2 and a molecular weight of 252.04 g/mol. Its IUPAC name is potassium trifluoro-(4-oxochromen-6-yl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro-(4-oxochromen-6-yl)boranuide
PubChem CID135072845
Molecular FormulaC9H5BF3KO2
Molecular Weight252.04 g/mol
Exact Mass252.00
IUPAC Namepotassium trifluoro-(4-oxochromen-6-yl)boranuide
SMILESO=c1ccoc2ccc([B-](F)(F)F)cc12.[K+]
InChIInChI=1S/C9H5BF3O2.K/c11-10(12,13)6-1-2-9-7(5-6)8(14)3-4-15-9;/h1-5H;/q-1;+1
InChIKeyZYBBNNVDFIMBBE-UHFFFAOYSA-N
XLogP-1.15
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.04
LogP ≤ 5-1.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-oxochromen-6-yl)boranuide?
The IUPAC name of potassium trifluoro-(4-oxochromen-6-yl)boranuide (CID 135072845) is potassium trifluoro-(4-oxochromen-6-yl)boranuide.
What is the SMILES notation for potassium trifluoro-(4-oxochromen-6-yl)boranuide?
The canonical SMILES for potassium trifluoro-(4-oxochromen-6-yl)boranuide is O=c1ccoc2ccc([B-](F)(F)F)cc12.[K+].
What is the InChIKey of potassium trifluoro-(4-oxochromen-6-yl)boranuide?
The InChIKey is ZYBBNNVDFIMBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BF3O2.K/c11-10(12,13)6-1-2-9-7(5-6)8(14)3-4-15-9;/h1-5H;/q-1;+1.
What are the key properties of potassium trifluoro-(4-oxochromen-6-yl)boranuide?
potassium trifluoro-(4-oxochromen-6-yl)boranuide has a molecular weight of 252.04 g/mol, XLogP of -1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-(4-oxochromen-6-yl)boranuide is sourced from PubChem (CID 135072845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).