trimethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenon-1-ynyl)silane

C13H11F13Si — CID 139880263

IUPACtrimethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenon-1-ynyl)silane
SMILESC=C(C#C[Si](C)(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H11F13Si/c1-7(5-6-27(2,3)4)8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h1H2,2-4H3
InChIKeyIBMDBBVVMVRXKA-UHFFFAOYSA-N
MW442.29 g/mol
LogP6.16
Rot. Bonds5

About trimethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenon-1-ynyl)silane

trimethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenon-1-ynyl)silane (PubChem CID 139880263) has the molecular formula C13H11F13Si and a molecular weight of 442.29 g/mol. Its IUPAC name is trimethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenon-1-ynyl)silane.

Molecular Properties

Compound Nametrimethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenon-1-ynyl)silane
PubChem CID139880263
Molecular FormulaC13H11F13Si
Molecular Weight442.29 g/mol
Exact Mass442.04
IUPAC Nametrimethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenon-1-ynyl)silane
SMILESC=C(C#C[Si](C)(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H11F13Si/c1-7(5-6-27(2,3)4)8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h1H2,2-4H3
InChIKeyIBMDBBVVMVRXKA-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.29
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(Difluoromethylidene)hept-1-ynyl-trimethylsilane
CID 139708427
Tert-butyl-[3-(difluoromethylidene)hept-1-ynyl]-dimethylsilane
CID 10999765

Frequently Asked Questions

What is the IUPAC name of trimethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenon-1-ynyl)silane?
The IUPAC name of trimethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenon-1-ynyl)silane (CID 139880263) is trimethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenon-1-ynyl)silane.
What is the SMILES notation for trimethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenon-1-ynyl)silane?
The canonical SMILES for trimethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenon-1-ynyl)silane is C=C(C#C[Si](C)(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of trimethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenon-1-ynyl)silane?
The InChIKey is IBMDBBVVMVRXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F13Si/c1-7(5-6-27(2,3)4)8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h1H2,2-4H3.
What are the key properties of trimethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenon-1-ynyl)silane?
trimethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenon-1-ynyl)silane has a molecular weight of 442.29 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenon-1-ynyl)silane is sourced from PubChem (CID 139880263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).