butyl-[2-(butyl-fluoro-methylsilyl)ethynyl]-fluoro-methylsilane

C12H24F2Si2 — CID 139634014

IUPACbutyl-[2-(butyl-fluoro-methylsilyl)ethynyl]-fluoro-methylsilane
SMILESCCCC[Si](C)(F)C#C[Si](C)(F)CCCC
InChIInChI=1S/C12H24F2Si2/c1-5-7-9-15(3,13)11-12-16(4,14)10-8-6-2/h5-10H2,1-4H3
InChIKeyYSKHUEJSBFEUDG-UHFFFAOYSA-N
MW262.49 g/mol
LogP4.76
Rot. Bonds6

About butyl-[2-(butyl-fluoro-methylsilyl)ethynyl]-fluoro-methylsilane

butyl-[2-(butyl-fluoro-methylsilyl)ethynyl]-fluoro-methylsilane (PubChem CID 139634014) has the molecular formula C12H24F2Si2 and a molecular weight of 262.49 g/mol. Its IUPAC name is butyl-[2-(butyl-fluoro-methylsilyl)ethynyl]-fluoro-methylsilane.

Molecular Properties

Compound Namebutyl-[2-(butyl-fluoro-methylsilyl)ethynyl]-fluoro-methylsilane
PubChem CID139634014
Molecular FormulaC12H24F2Si2
Molecular Weight262.49 g/mol
Exact Mass262.14
IUPAC Namebutyl-[2-(butyl-fluoro-methylsilyl)ethynyl]-fluoro-methylsilane
SMILESCCCC[Si](C)(F)C#C[Si](C)(F)CCCC
InChIInChI=1S/C12H24F2Si2/c1-5-7-9-15(3,13)11-12-16(4,14)10-8-6-2/h5-10H2,1-4H3
InChIKeyYSKHUEJSBFEUDG-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.49
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-Bis(trimethylsilyl)propyne
CID 140859
Silane, 1,3-propanediylbis(trimethyl-
CID 137532
Tributyl(fluoro)silane
CID 238539
Fluorotripropylsilane
CID 23235506
Triisopropyl(2-trimethylsilylethynyl)silane
CID 13779468
1,4-Bis(trimethylsilyl)-2-butyne
CID 140858
Tri-isopropylfluorosilane
CID 12639596
Trimethyl(4-trimethylsilylbutyl)silane
CID 552696
Di-sec-butyldifluorsilan
CID 85943310
Bis(t-butyldifluorosilyl)methane
CID 87144290
Bis(triethylsilyl)acetylene
CID 638084
Bis(tert-butyldimethylsilyl)acetylene
CID 14979593

Frequently Asked Questions

What is the IUPAC name of butyl-[2-(butyl-fluoro-methylsilyl)ethynyl]-fluoro-methylsilane?
The IUPAC name of butyl-[2-(butyl-fluoro-methylsilyl)ethynyl]-fluoro-methylsilane (CID 139634014) is butyl-[2-(butyl-fluoro-methylsilyl)ethynyl]-fluoro-methylsilane.
What is the SMILES notation for butyl-[2-(butyl-fluoro-methylsilyl)ethynyl]-fluoro-methylsilane?
The canonical SMILES for butyl-[2-(butyl-fluoro-methylsilyl)ethynyl]-fluoro-methylsilane is CCCC[Si](C)(F)C#C[Si](C)(F)CCCC.
What is the InChIKey of butyl-[2-(butyl-fluoro-methylsilyl)ethynyl]-fluoro-methylsilane?
The InChIKey is YSKHUEJSBFEUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2Si2/c1-5-7-9-15(3,13)11-12-16(4,14)10-8-6-2/h5-10H2,1-4H3.
What are the key properties of butyl-[2-(butyl-fluoro-methylsilyl)ethynyl]-fluoro-methylsilane?
butyl-[2-(butyl-fluoro-methylsilyl)ethynyl]-fluoro-methylsilane has a molecular weight of 262.49 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-(butyl-fluoro-methylsilyl)ethynyl]-fluoro-methylsilane is sourced from PubChem (CID 139634014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).