2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide

C8H15BF3Si- — CID 139593275

IUPAC2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide
SMILESCC(C)(C)[Si](C)(C)C#C[B-](F)(F)F
InChIInChI=1S/C8H15BF3Si/c1-8(2,3)13(4,5)7-6-9(10,11)12/h1-5H3/q-1
InChIKeyNQEYJZVPSMGNJS-UHFFFAOYSA-N
MW207.10 g/mol
LogP3.42
Rot. Bonds

About 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide

2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide (PubChem CID 139593275) has the molecular formula C8H15BF3Si- and a molecular weight of 207.10 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide
PubChem CID139593275
Molecular FormulaC8H15BF3Si-
Molecular Weight207.10 g/mol
Exact Mass207.10
IUPAC Name2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide
SMILESCC(C)(C)[Si](C)(C)C#C[B-](F)(F)F
InChIInChI=1S/C8H15BF3Si/c1-8(2,3)13(4,5)7-6-9(10,11)12/h1-5H3/q-1
InChIKeyNQEYJZVPSMGNJS-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.10
LogP ≤ 53.42
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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Related Compounds

2-Difluoroboranylethynyl-tri(propan-2-yl)silane
CID 164667298
Potassium trifluoro(2-triethylsilylethynyl)boranuide
CID 23702896
Potassium trifluoro-[2-tri(propan-2-yl)silylethynyl]boranuide
CID 177855369
Trifluoro(2-triethylsilylethynyl)boranuide
CID 10514540
Trifluoro(3-trimethylsilylpropyl)boranuide
CID 155819800
Trifluoro(3-trimethylsilylprop-2-ynyl)boranuide
CID 165984010
Trifluoro-[2-tri(propan-2-yl)silylethynyl]boranuide
CID 177855370
Potassium ((tert-butyldimethylsilyl)ethynyl)trifluoroborate
CID 139593274

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide (CID 139593275) is 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide is CC(C)(C)[Si](C)(C)C#C[B-](F)(F)F.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide?
The InChIKey is NQEYJZVPSMGNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BF3Si/c1-8(2,3)13(4,5)7-6-9(10,11)12/h1-5H3/q-1.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide?
2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide has a molecular weight of 207.10 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide is sourced from PubChem (CID 139593275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).