trifluoro(2-trimethylsilylethynyl)boranuide

C5H9BF3Si- — CID 11095714

IUPACtrifluoro(2-trimethylsilylethynyl)boranuide
SMILESC[Si](C)(C)C#C[B-](F)(F)F
InChIInChI=1S/C5H9BF3Si/c1-10(2,3)5-4-6(7,8)9/h1-3H3/q-1
InChIKeyAOTIZUVHPUJTTK-UHFFFAOYSA-N
MW165.02 g/mol
LogP2.25
Rot. Bonds

About trifluoro(2-trimethylsilylethynyl)boranuide

trifluoro(2-trimethylsilylethynyl)boranuide (PubChem CID 11095714) has the molecular formula C5H9BF3Si- and a molecular weight of 165.02 g/mol. Its IUPAC name is trifluoro(2-trimethylsilylethynyl)boranuide.

Molecular Properties

Compound Nametrifluoro(2-trimethylsilylethynyl)boranuide
PubChem CID11095714
Molecular FormulaC5H9BF3Si-
Molecular Weight165.02 g/mol
Exact Mass165.05
IUPAC Nametrifluoro(2-trimethylsilylethynyl)boranuide
SMILESC[Si](C)(C)C#C[B-](F)(F)F
InChIInChI=1S/C5H9BF3Si/c1-10(2,3)5-4-6(7,8)9/h1-3H3/q-1
InChIKeyAOTIZUVHPUJTTK-UHFFFAOYSA-N
XLogP2.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.02
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trifluoro(2-trimethylsilylethynyl)boranuide?
The IUPAC name of trifluoro(2-trimethylsilylethynyl)boranuide (CID 11095714) is trifluoro(2-trimethylsilylethynyl)boranuide.
What is the SMILES notation for trifluoro(2-trimethylsilylethynyl)boranuide?
The canonical SMILES for trifluoro(2-trimethylsilylethynyl)boranuide is C[Si](C)(C)C#C[B-](F)(F)F.
What is the InChIKey of trifluoro(2-trimethylsilylethynyl)boranuide?
The InChIKey is AOTIZUVHPUJTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BF3Si/c1-10(2,3)5-4-6(7,8)9/h1-3H3/q-1.
What are the key properties of trifluoro(2-trimethylsilylethynyl)boranuide?
trifluoro(2-trimethylsilylethynyl)boranuide has a molecular weight of 165.02 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(2-trimethylsilylethynyl)boranuide is sourced from PubChem (CID 11095714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).