triethoxy-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane

C18H15F9O3Si — CID 23523581

IUPACtriethoxy-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane
SMILESCCO[Si](OCC)(OCC)c1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18H15F9O3Si/c1-4-28-31(29-5-2,30-6-3)18-16(26)11(21)8(12(22)17(18)27)7-9(19)13(23)15(25)14(24)10(7)20/h4-6H2,1-3H3
InChIKeyBVCBPVHPEBKZIA-UHFFFAOYSA-N
MW478.38 g/mol
LogP4.86
Rot. Bonds8

About triethoxy-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane

triethoxy-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane (PubChem CID 23523581) has the molecular formula C18H15F9O3Si and a molecular weight of 478.38 g/mol. Its IUPAC name is triethoxy-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane.

Molecular Properties

Compound Nametriethoxy-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane
PubChem CID23523581
Molecular FormulaC18H15F9O3Si
Molecular Weight478.38 g/mol
Exact Mass478.06
IUPAC Nametriethoxy-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane
SMILESCCO[Si](OCC)(OCC)c1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18H15F9O3Si/c1-4-28-31(29-5-2,30-6-3)18-16(26)11(21)8(12(22)17(18)27)7-9(19)13(23)15(25)14(24)10(7)20/h4-6H2,1-3H3
InChIKeyBVCBPVHPEBKZIA-UHFFFAOYSA-N
XLogP4.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.38
LogP ≤ 54.86
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 triethoxy-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane?
The IUPAC name of triethoxy-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane (CID 23523581) is triethoxy-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane.
What is the SMILES notation for triethoxy-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane?
The canonical SMILES for triethoxy-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane is CCO[Si](OCC)(OCC)c1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of triethoxy-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane?
The InChIKey is BVCBPVHPEBKZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F9O3Si/c1-4-28-31(29-5-2,30-6-3)18-16(26)11(21)8(12(22)17(18)27)7-9(19)13(23)15(25)14(24)10(7)20/h4-6H2,1-3H3.
What are the key properties of triethoxy-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane?
triethoxy-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane has a molecular weight of 478.38 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane is sourced from PubChem (CID 23523581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).