ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane

C13H18F4O3Si — CID 90171128

IUPACethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane
SMILESCCO[Si](CCCc1cc(F)c(F)c(F)c1F)(OC)OC
InChIInChI=1S/C13H18F4O3Si/c1-4-20-21(18-2,19-3)7-5-6-9-8-10(14)12(16)13(17)11(9)15/h8H,4-7H2,1-3H3
InChIKeyMYLVWMXJTYMKRL-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.44
Rot. Bonds8

About ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane

ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane (PubChem CID 90171128) has the molecular formula C13H18F4O3Si and a molecular weight of 326.36 g/mol. Its IUPAC name is ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane.

Molecular Properties

Compound Nameethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane
PubChem CID90171128
Molecular FormulaC13H18F4O3Si
Molecular Weight326.36 g/mol
Exact Mass326.10
IUPAC Nameethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane
SMILESCCO[Si](CCCc1cc(F)c(F)c(F)c1F)(OC)OC
InChIInChI=1S/C13H18F4O3Si/c1-4-20-21(18-2,19-3)7-5-6-9-8-10(14)12(16)13(17)11(9)15/h8H,4-7H2,1-3H3
InChIKeyMYLVWMXJTYMKRL-UHFFFAOYSA-N
XLogP3.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.44
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 ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane?
The IUPAC name of ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane (CID 90171128) is ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane.
What is the SMILES notation for ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane?
The canonical SMILES for ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane is CCO[Si](CCCc1cc(F)c(F)c(F)c1F)(OC)OC.
What is the InChIKey of ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane?
The InChIKey is MYLVWMXJTYMKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F4O3Si/c1-4-20-21(18-2,19-3)7-5-6-9-8-10(14)12(16)13(17)11(9)15/h8H,4-7H2,1-3H3.
What are the key properties of ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane?
ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane has a molecular weight of 326.36 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane is sourced from PubChem (CID 90171128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).