trifluoro-(4-formylfuran-2-yl)boranuide

C5H3BF3O2- — CID 46902167

IUPACtrifluoro-(4-formylfuran-2-yl)boranuide
SMILESO=Cc1coc([B-](F)(F)F)c1
InChIInChI=1S/C5H3BF3O2/c7-6(8,9)5-1-4(2-10)3-11-5/h1-3H/q-1
InChIKeyXAVYJKFHUVDCJE-UHFFFAOYSA-N
MW162.88 g/mol
LogP1.15
Rot. Bonds2

About trifluoro-(4-formylfuran-2-yl)boranuide

trifluoro-(4-formylfuran-2-yl)boranuide (PubChem CID 46902167) has the molecular formula C5H3BF3O2- and a molecular weight of 162.88 g/mol. Its IUPAC name is trifluoro-(4-formylfuran-2-yl)boranuide.

Molecular Properties

Compound Nametrifluoro-(4-formylfuran-2-yl)boranuide
PubChem CID46902167
Molecular FormulaC5H3BF3O2-
Molecular Weight162.88 g/mol
Exact Mass163.02
IUPAC Nametrifluoro-(4-formylfuran-2-yl)boranuide
SMILESO=Cc1coc([B-](F)(F)F)c1
InChIInChI=1S/C5H3BF3O2/c7-6(8,9)5-1-4(2-10)3-11-5/h1-3H/q-1
InChIKeyXAVYJKFHUVDCJE-UHFFFAOYSA-N
XLogP1.15
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.88
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trifluoro-(4-formylfuran-2-yl)boranuide?
The IUPAC name of trifluoro-(4-formylfuran-2-yl)boranuide (CID 46902167) is trifluoro-(4-formylfuran-2-yl)boranuide.
What is the SMILES notation for trifluoro-(4-formylfuran-2-yl)boranuide?
The canonical SMILES for trifluoro-(4-formylfuran-2-yl)boranuide is O=Cc1coc([B-](F)(F)F)c1.
What is the InChIKey of trifluoro-(4-formylfuran-2-yl)boranuide?
The InChIKey is XAVYJKFHUVDCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BF3O2/c7-6(8,9)5-1-4(2-10)3-11-5/h1-3H/q-1.
What are the key properties of trifluoro-(4-formylfuran-2-yl)boranuide?
trifluoro-(4-formylfuran-2-yl)boranuide has a molecular weight of 162.88 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 trifluoro-(4-formylfuran-2-yl)boranuide is sourced from PubChem (CID 46902167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).