2-difluoroboranylethynyl-tri(propan-2-yl)silane

C11H21BF2Si — CID 164667298

IUPAC2-difluoroboranylethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CB(F)F)(C(C)C)C(C)C
InChIInChI=1S/C11H21BF2Si/c1-9(2)15(10(3)4,11(5)6)8-7-12(13)14/h9-11H,1-6H3
InChIKeyVSQQOWNWLCKHRK-UHFFFAOYSA-N
MW230.18 g/mol
LogP4.17
Rot. Bonds3

About 2-difluoroboranylethynyl-tri(propan-2-yl)silane

2-difluoroboranylethynyl-tri(propan-2-yl)silane (PubChem CID 164667298) has the molecular formula C11H21BF2Si and a molecular weight of 230.18 g/mol. Its IUPAC name is 2-difluoroboranylethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-difluoroboranylethynyl-tri(propan-2-yl)silane
PubChem CID164667298
Molecular FormulaC11H21BF2Si
Molecular Weight230.18 g/mol
Exact Mass230.15
IUPAC Name2-difluoroboranylethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CB(F)F)(C(C)C)C(C)C
InChIInChI=1S/C11H21BF2Si/c1-9(2)15(10(3)4,11(5)6)8-7-12(13)14/h9-11H,1-6H3
InChIKeyVSQQOWNWLCKHRK-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 54.17
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

Potassium trifluoro(2-triethylsilylethynyl)boranuide
CID 23702896
CID 164681431
CID 164681431
Potassium trifluoro-[2-tri(propan-2-yl)silylethynyl]boranuide
CID 177855369
Trifluoro(2-triethylsilylethynyl)boranuide
CID 10514540
2-[Tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide
CID 139593275
Trifluoro(3-trimethylsilylpropyl)boranuide
CID 155819800
Trifluoro(3-trimethylsilylprop-2-ynyl)boranuide
CID 165984010
Trifluoro-[2-tri(propan-2-yl)silylethynyl]boranuide
CID 177855370
2-Dibutylboranylethynyl(trimethyl)silane
CID 22172921
Potassium ((tert-butyldimethylsilyl)ethynyl)trifluoroborate
CID 139593274

Frequently Asked Questions

What is the IUPAC name of 2-difluoroboranylethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-difluoroboranylethynyl-tri(propan-2-yl)silane (CID 164667298) is 2-difluoroboranylethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-difluoroboranylethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-difluoroboranylethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#CB(F)F)(C(C)C)C(C)C.
What is the InChIKey of 2-difluoroboranylethynyl-tri(propan-2-yl)silane?
The InChIKey is VSQQOWNWLCKHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BF2Si/c1-9(2)15(10(3)4,11(5)6)8-7-12(13)14/h9-11H,1-6H3.
What are the key properties of 2-difluoroboranylethynyl-tri(propan-2-yl)silane?
2-difluoroboranylethynyl-tri(propan-2-yl)silane has a molecular weight of 230.18 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-difluoroboranylethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 164667298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).