ethenyl-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane

C12H13F5O2Si — CID 23523559

IUPACethenyl-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane
SMILESC=C[Si](OCC)(OCC)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H13F5O2Si/c1-4-18-20(6-3,19-5-2)12-10(16)8(14)7(13)9(15)11(12)17/h6H,3-5H2,1-2H3
InChIKeyFNEOEUCCJWSPLN-UHFFFAOYSA-N
MW312.31 g/mol
LogP2.83
Rot. Bonds6

About ethenyl-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane

ethenyl-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 23523559) has the molecular formula C12H13F5O2Si and a molecular weight of 312.31 g/mol. Its IUPAC name is ethenyl-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Nameethenyl-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID23523559
Molecular FormulaC12H13F5O2Si
Molecular Weight312.31 g/mol
Exact Mass312.06
IUPAC Nameethenyl-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane
SMILESC=C[Si](OCC)(OCC)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H13F5O2Si/c1-4-18-20(6-3,19-5-2)12-10(16)8(14)7(13)9(15)11(12)17/h6H,3-5H2,1-2H3
InChIKeyFNEOEUCCJWSPLN-UHFFFAOYSA-N
XLogP2.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 52.83
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'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of ethenyl-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane (CID 23523559) is ethenyl-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for ethenyl-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for ethenyl-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane is C=C[Si](OCC)(OCC)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of ethenyl-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is FNEOEUCCJWSPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F5O2Si/c1-4-18-20(6-3,19-5-2)12-10(16)8(14)7(13)9(15)11(12)17/h6H,3-5H2,1-2H3.
What are the key properties of ethenyl-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane?
ethenyl-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 312.31 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 23523559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).