2-bicyclo[2.2.1]hept-5-enyl(trifluoro)silane

C7H9F3Si — CID 22388819

IUPAC2-bicyclo[2.2.1]hept-5-enyl(trifluoro)silane
SMILESF[Si](F)(F)C1CC2C=CC1C2
InChIInChI=1S/C7H9F3Si/c8-11(9,10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2
InChIKeyKAVMOGBCKRXUMG-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.80
Rot. Bonds1

About 2-bicyclo[2.2.1]hept-5-enyl(trifluoro)silane

2-bicyclo[2.2.1]hept-5-enyl(trifluoro)silane (PubChem CID 22388819) has the molecular formula C7H9F3Si and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl(trifluoro)silane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl(trifluoro)silane
PubChem CID22388819
Molecular FormulaC7H9F3Si
Molecular Weight178.23 g/mol
Exact Mass178.04
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl(trifluoro)silane
SMILESF[Si](F)(F)C1CC2C=CC1C2
InChIInChI=1S/C7H9F3Si/c8-11(9,10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2
InChIKeyKAVMOGBCKRXUMG-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
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 2-bicyclo[2.2.1]hept-5-enyl(trifluoro)silane?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl(trifluoro)silane (CID 22388819) is 2-bicyclo[2.2.1]hept-5-enyl(trifluoro)silane.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl(trifluoro)silane?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl(trifluoro)silane is F[Si](F)(F)C1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl(trifluoro)silane?
The InChIKey is KAVMOGBCKRXUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3Si/c8-11(9,10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl(trifluoro)silane?
2-bicyclo[2.2.1]hept-5-enyl(trifluoro)silane has a molecular weight of 178.23 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enyl(trifluoro)silane is sourced from PubChem (CID 22388819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).