diethoxy-(2,3,4,5,6-pentafluorophenyl)-prop-2-enylsilane

C13H15F5O2Si — CID 22389964

IUPACdiethoxy-(2,3,4,5,6-pentafluorophenyl)-prop-2-enylsilane
SMILESC=CC[Si](OCC)(OCC)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H15F5O2Si/c1-4-7-21(19-5-2,20-6-3)13-11(17)9(15)8(14)10(16)12(13)18/h4H,1,5-7H2,2-3H3
InChIKeyOJBQXDIXORCQNO-UHFFFAOYSA-N
MW326.34 g/mol
LogP3.29
Rot. Bonds7

About diethoxy-(2,3,4,5,6-pentafluorophenyl)-prop-2-enylsilane

diethoxy-(2,3,4,5,6-pentafluorophenyl)-prop-2-enylsilane (PubChem CID 22389964) has the molecular formula C13H15F5O2Si and a molecular weight of 326.34 g/mol. Its IUPAC name is diethoxy-(2,3,4,5,6-pentafluorophenyl)-prop-2-enylsilane.

Molecular Properties

Compound Namediethoxy-(2,3,4,5,6-pentafluorophenyl)-prop-2-enylsilane
PubChem CID22389964
Molecular FormulaC13H15F5O2Si
Molecular Weight326.34 g/mol
Exact Mass326.08
IUPAC Namediethoxy-(2,3,4,5,6-pentafluorophenyl)-prop-2-enylsilane
SMILESC=CC[Si](OCC)(OCC)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H15F5O2Si/c1-4-7-21(19-5-2,20-6-3)13-11(17)9(15)8(14)10(16)12(13)18/h4H,1,5-7H2,2-3H3
InChIKeyOJBQXDIXORCQNO-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethoxy-(2,3,4,5,6-pentafluorophenyl)-prop-2-enylsilane?
The IUPAC name of diethoxy-(2,3,4,5,6-pentafluorophenyl)-prop-2-enylsilane (CID 22389964) is diethoxy-(2,3,4,5,6-pentafluorophenyl)-prop-2-enylsilane.
What is the SMILES notation for diethoxy-(2,3,4,5,6-pentafluorophenyl)-prop-2-enylsilane?
The canonical SMILES for diethoxy-(2,3,4,5,6-pentafluorophenyl)-prop-2-enylsilane is C=CC[Si](OCC)(OCC)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of diethoxy-(2,3,4,5,6-pentafluorophenyl)-prop-2-enylsilane?
The InChIKey is OJBQXDIXORCQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F5O2Si/c1-4-7-21(19-5-2,20-6-3)13-11(17)9(15)8(14)10(16)12(13)18/h4H,1,5-7H2,2-3H3.
What are the key properties of diethoxy-(2,3,4,5,6-pentafluorophenyl)-prop-2-enylsilane?
diethoxy-(2,3,4,5,6-pentafluorophenyl)-prop-2-enylsilane has a molecular weight of 326.34 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(2,3,4,5,6-pentafluorophenyl)-prop-2-enylsilane is sourced from PubChem (CID 22389964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).