diethyl-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]silane

C18H14F10O2Si — CID 91745475

IUPACdiethyl-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]silane
SMILESCC[Si](CC)(OCc1c(F)c(F)c(F)c(F)c1F)OCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H14F10O2Si/c1-3-31(4-2,29-5-7-9(19)13(23)17(27)14(24)10(7)20)30-6-8-11(21)15(25)18(28)16(26)12(8)22/h3-6H2,1-2H3
InChIKeyDBFHVABXPWNGGT-UHFFFAOYSA-N
MW480.37 g/mol
LogP6.29
Rot. Bonds8

About diethyl-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]silane

diethyl-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]silane (PubChem CID 91745475) has the molecular formula C18H14F10O2Si and a molecular weight of 480.37 g/mol. Its IUPAC name is diethyl-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]silane.

Molecular Properties

Compound Namediethyl-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]silane
PubChem CID91745475
Molecular FormulaC18H14F10O2Si
Molecular Weight480.37 g/mol
Exact Mass480.06
IUPAC Namediethyl-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]silane
SMILESCC[Si](CC)(OCc1c(F)c(F)c(F)c(F)c1F)OCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H14F10O2Si/c1-3-31(4-2,29-5-7-9(19)13(23)17(27)14(24)10(7)20)30-6-8-11(21)15(25)18(28)16(26)12(8)22/h3-6H2,1-2H3
InChIKeyDBFHVABXPWNGGT-UHFFFAOYSA-N
XLogP6.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.37
LogP ≤ 56.29
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'}

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Related Compounds

Tert-butyl-[(3,5-difluorophenyl)methoxy]-dimethylsilane
CID 154720097
Dimethyl(pentafluorophenyl)silyloxymethylbenzene
CID 523435
2-Phenylethanol, dimethylpentafluorophenylsilyl ether
CID 555830
1-Phenylethanol, dimethylpentafluorophenylsilyl ether
CID 85853809
(2-Methylphenyl)methanol, dimethylpentafluorophenylsilyl ether
CID 91703256
(4-Methylphenyl)methanol, dimethylpentafluorophenylsilyl ether
CID 91703917
(4-Fluorophenyl)methanol, dimethylpentafluorophenylsilyl ether
CID 91704485
(3-Fluorophenyl)methanol, dimethylpentafluorophenylsilyl ether
CID 91704486
(2,4,5-Trifluorophenyl)methanol, dimethylpentafluorophenylsilyl ether
CID 91719186
3,4,5-Trifluorophenylmethanol, dimethylpentafluorophenylsilyl ether
CID 91719187
(2,3,6-Trifluorophenyl)methanol, dimethylpentafluorophenylsilyl ether
CID 91719228
(4-(Trifluoromethyl)phenyl)methanol, dimethylpentafluorophenylsilyl ether
CID 91723473

Frequently Asked Questions

What is the IUPAC name of diethyl-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]silane?
The IUPAC name of diethyl-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]silane (CID 91745475) is diethyl-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]silane.
What is the SMILES notation for diethyl-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]silane?
The canonical SMILES for diethyl-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]silane is CC[Si](CC)(OCc1c(F)c(F)c(F)c(F)c1F)OCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of diethyl-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]silane?
The InChIKey is DBFHVABXPWNGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F10O2Si/c1-3-31(4-2,29-5-7-9(19)13(23)17(27)14(24)10(7)20)30-6-8-11(21)15(25)18(28)16(26)12(8)22/h3-6H2,1-2H3.
What are the key properties of diethyl-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]silane?
diethyl-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]silane has a molecular weight of 480.37 g/mol, XLogP of 6.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]silane is sourced from PubChem (CID 91745475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).