[2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane

C13H21F3OSi — CID 22320028

IUPAC[2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane
SMILESCC(O[Si](C)(C)C)(C1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C13H21F3OSi/c1-12(13(14,15)16,17-18(2,3)4)11-8-9-5-6-10(11)7-9/h5-6,9-11H,7-8H2,1-4H3
InChIKeyUQRKUFHGRHRZDU-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.37
Rot. Bonds3

About [2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane

[2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane (PubChem CID 22320028) has the molecular formula C13H21F3OSi and a molecular weight of 278.39 g/mol. Its IUPAC name is [2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane
PubChem CID22320028
Molecular FormulaC13H21F3OSi
Molecular Weight278.39 g/mol
Exact Mass278.13
IUPAC Name[2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane
SMILESCC(O[Si](C)(C)C)(C1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C13H21F3OSi/c1-12(13(14,15)16,17-18(2,3)4)11-8-9-5-6-10(11)7-9/h5-6,9-11H,7-8H2,1-4H3
InChIKeyUQRKUFHGRHRZDU-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane?
The IUPAC name of [2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane (CID 22320028) is [2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane?
The canonical SMILES for [2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane is CC(O[Si](C)(C)C)(C1CC2C=CC1C2)C(F)(F)F.
What is the InChIKey of [2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane?
The InChIKey is UQRKUFHGRHRZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3OSi/c1-12(13(14,15)16,17-18(2,3)4)11-8-9-5-6-10(11)7-9/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of [2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane?
[2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane has a molecular weight of 278.39 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 22320028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).