trimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane

C12H15F5O3Si — CID 18188370

IUPACtrimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
SMILESCO[Si](CCCc1c(F)c(F)c(F)c(F)c1F)(OC)OC
InChIInChI=1S/C12H15F5O3Si/c1-18-21(19-2,20-3)6-4-5-7-8(13)10(15)12(17)11(16)9(7)14/h4-6H2,1-3H3
InChIKeyATBYFXZUTXZYMA-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.19
Rot. Bonds7

About trimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane

trimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane (PubChem CID 18188370) has the molecular formula C12H15F5O3Si and a molecular weight of 330.33 g/mol. Its IUPAC name is trimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
PubChem CID18188370
Molecular FormulaC12H15F5O3Si
Molecular Weight330.33 g/mol
Exact Mass330.07
IUPAC Nametrimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
SMILESCO[Si](CCCc1c(F)c(F)c(F)c(F)c1F)(OC)OC
InChIInChI=1S/C12H15F5O3Si/c1-18-21(19-2,20-3)6-4-5-7-8(13)10(15)12(17)11(16)9(7)14/h4-6H2,1-3H3
InChIKeyATBYFXZUTXZYMA-UHFFFAOYSA-N
XLogP3.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 trimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
The IUPAC name of trimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane (CID 18188370) is trimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane.
What is the SMILES notation for trimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
The canonical SMILES for trimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane is CO[Si](CCCc1c(F)c(F)c(F)c(F)c1F)(OC)OC.
What is the InChIKey of trimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
The InChIKey is ATBYFXZUTXZYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F5O3Si/c1-18-21(19-2,20-3)6-4-5-7-8(13)10(15)12(17)11(16)9(7)14/h4-6H2,1-3H3.
What are the key properties of trimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
trimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane has a molecular weight of 330.33 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane is sourced from PubChem (CID 18188370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).