potassium trifluoro(furan-3-carbonyl)boranuide

C5H3BF3KO2 — CID 131462098

IUPACpotassium trifluoro(furan-3-carbonyl)boranuide
SMILESO=C(c1ccoc1)[B-](F)(F)F.[K+]
InChIInChI=1S/C5H3BF3O2.K/c7-6(8,9)5(10)4-1-2-11-3-4;/h1-3H;/q-1;+1
InChIKeyQAGQQRQDZRVUFM-UHFFFAOYSA-N
MW201.98 g/mol
LogP-1.15
Rot. Bonds2

About potassium trifluoro(furan-3-carbonyl)boranuide

potassium trifluoro(furan-3-carbonyl)boranuide (PubChem CID 131462098) has the molecular formula C5H3BF3KO2 and a molecular weight of 201.98 g/mol. Its IUPAC name is potassium trifluoro(furan-3-carbonyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro(furan-3-carbonyl)boranuide
PubChem CID131462098
Molecular FormulaC5H3BF3KO2
Molecular Weight201.98 g/mol
Exact Mass201.98
IUPAC Namepotassium trifluoro(furan-3-carbonyl)boranuide
SMILESO=C(c1ccoc1)[B-](F)(F)F.[K+]
InChIInChI=1S/C5H3BF3O2.K/c7-6(8,9)5(10)4-1-2-11-3-4;/h1-3H;/q-1;+1
InChIKeyQAGQQRQDZRVUFM-UHFFFAOYSA-N
XLogP-1.15
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.98
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(furan-3-carbonyl)boranuide?
The IUPAC name of potassium trifluoro(furan-3-carbonyl)boranuide (CID 131462098) is potassium trifluoro(furan-3-carbonyl)boranuide.
What is the SMILES notation for potassium trifluoro(furan-3-carbonyl)boranuide?
The canonical SMILES for potassium trifluoro(furan-3-carbonyl)boranuide is O=C(c1ccoc1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro(furan-3-carbonyl)boranuide?
The InChIKey is QAGQQRQDZRVUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BF3O2.K/c7-6(8,9)5(10)4-1-2-11-3-4;/h1-3H;/q-1;+1.
What are the key properties of potassium trifluoro(furan-3-carbonyl)boranuide?
potassium trifluoro(furan-3-carbonyl)boranuide has a molecular weight of 201.98 g/mol, XLogP of -1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro(furan-3-carbonyl)boranuide is sourced from PubChem (CID 131462098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).