trifluoro(3-methylbut-2-enyl)silane

C5H9F3Si — CID 10931653

IUPACtrifluoro(3-methylbut-2-enyl)silane
SMILESCC(C)=CC[Si](F)(F)F
InChIInChI=1S/C5H9F3Si/c1-5(2)3-4-9(6,7)8/h3H,4H2,1-2H3
InChIKeyFQZOEQIJCNKSCE-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.80
Rot. Bonds2

About trifluoro(3-methylbut-2-enyl)silane

trifluoro(3-methylbut-2-enyl)silane (PubChem CID 10931653) has the molecular formula C5H9F3Si and a molecular weight of 154.21 g/mol. Its IUPAC name is trifluoro(3-methylbut-2-enyl)silane.

Molecular Properties

Compound Nametrifluoro(3-methylbut-2-enyl)silane
PubChem CID10931653
Molecular FormulaC5H9F3Si
Molecular Weight154.21 g/mol
Exact Mass154.04
IUPAC Nametrifluoro(3-methylbut-2-enyl)silane
SMILESCC(C)=CC[Si](F)(F)F
InChIInChI=1S/C5H9F3Si/c1-5(2)3-4-9(6,7)8/h3H,4H2,1-2H3
InChIKeyFQZOEQIJCNKSCE-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trifluoro(3-methylbut-2-enyl)silane?
The IUPAC name of trifluoro(3-methylbut-2-enyl)silane (CID 10931653) is trifluoro(3-methylbut-2-enyl)silane.
What is the SMILES notation for trifluoro(3-methylbut-2-enyl)silane?
The canonical SMILES for trifluoro(3-methylbut-2-enyl)silane is CC(C)=CC[Si](F)(F)F.
What is the InChIKey of trifluoro(3-methylbut-2-enyl)silane?
The InChIKey is FQZOEQIJCNKSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3Si/c1-5(2)3-4-9(6,7)8/h3H,4H2,1-2H3.
What are the key properties of trifluoro(3-methylbut-2-enyl)silane?
trifluoro(3-methylbut-2-enyl)silane has a molecular weight of 154.21 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(3-methylbut-2-enyl)silane is sourced from PubChem (CID 10931653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).