dimethyl-(2,3,4,5,6-pentafluorophenyl)-[[4-(trifluoromethyl)phenyl]methoxy]silane

C16H12F8OSi — CID 91723473

IUPACdimethyl-(2,3,4,5,6-pentafluorophenyl)-[[4-(trifluoromethyl)phenyl]methoxy]silane
SMILESC[Si](C)(OCc1ccc(C(F)(F)F)cc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H12F8OSi/c1-26(2,15-13(20)11(18)10(17)12(19)14(15)21)25-7-8-3-5-9(6-4-8)16(22,23)24/h3-6H,7H2,1-2H3
InChIKeyGBFRWGPSOKRGOT-UHFFFAOYSA-N
MW400.34 g/mol
LogP5.03
Rot. Bonds4

About dimethyl-(2,3,4,5,6-pentafluorophenyl)-[[4-(trifluoromethyl)phenyl]methoxy]silane

dimethyl-(2,3,4,5,6-pentafluorophenyl)-[[4-(trifluoromethyl)phenyl]methoxy]silane (PubChem CID 91723473) has the molecular formula C16H12F8OSi and a molecular weight of 400.34 g/mol. Its IUPAC name is dimethyl-(2,3,4,5,6-pentafluorophenyl)-[[4-(trifluoromethyl)phenyl]methoxy]silane.

Molecular Properties

Compound Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-[[4-(trifluoromethyl)phenyl]methoxy]silane
PubChem CID91723473
Molecular FormulaC16H12F8OSi
Molecular Weight400.34 g/mol
Exact Mass400.05
IUPAC Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-[[4-(trifluoromethyl)phenyl]methoxy]silane
SMILESC[Si](C)(OCc1ccc(C(F)(F)F)cc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H12F8OSi/c1-26(2,15-13(20)11(18)10(17)12(19)14(15)21)25-7-8-3-5-9(6-4-8)16(22,23)24/h3-6H,7H2,1-2H3
InChIKeyGBFRWGPSOKRGOT-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.34
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2,2-Difluoro-1-phenyl-1-trimethylsiloxyethene
CID 10889667
Triethylsilyloxymethyl-4-fluorobenzene
CID 11107483
2,2,2-Trifluoro-1-phenylethyl trimethylsilyl ether
CID 11218868
tert-Butyl(4-fluorobenzyloxy)dimethylsilane
CID 13861700
Trimethyl[(4-methylphenyl)methoxy]silane
CID 13063937
4-Methylbenzyl alcohol, tert-butyldimethylsilyl ether
CID 21304531
Dimethyl(diphenylmethoxy)(pentafluorophenyl)silane
CID 4581060
2-Fluorobenzyl alcohol, tert-butyldimethylsilyl ether
CID 91728155
tert-Butyldimethyl((4-(trifluoromethyl)benzyl)oxy)silane
CID 11277728
Dimethyl-prop-2-enyl-[[4-(trifluoromethyl)phenyl]methoxy]silane
CID 11666259
[2,2-Difluoro-1-[4-(trifluoromethyl)phenyl]ethenoxy]-trimethylsilane
CID 11437909
alpha-(Difluoromethylene)-4-methylbenzyloxytrimethylsilane
CID 12990227

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2,3,4,5,6-pentafluorophenyl)-[[4-(trifluoromethyl)phenyl]methoxy]silane?
The IUPAC name of dimethyl-(2,3,4,5,6-pentafluorophenyl)-[[4-(trifluoromethyl)phenyl]methoxy]silane (CID 91723473) is dimethyl-(2,3,4,5,6-pentafluorophenyl)-[[4-(trifluoromethyl)phenyl]methoxy]silane.
What is the SMILES notation for dimethyl-(2,3,4,5,6-pentafluorophenyl)-[[4-(trifluoromethyl)phenyl]methoxy]silane?
The canonical SMILES for dimethyl-(2,3,4,5,6-pentafluorophenyl)-[[4-(trifluoromethyl)phenyl]methoxy]silane is C[Si](C)(OCc1ccc(C(F)(F)F)cc1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of dimethyl-(2,3,4,5,6-pentafluorophenyl)-[[4-(trifluoromethyl)phenyl]methoxy]silane?
The InChIKey is GBFRWGPSOKRGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F8OSi/c1-26(2,15-13(20)11(18)10(17)12(19)14(15)21)25-7-8-3-5-9(6-4-8)16(22,23)24/h3-6H,7H2,1-2H3.
What are the key properties of dimethyl-(2,3,4,5,6-pentafluorophenyl)-[[4-(trifluoromethyl)phenyl]methoxy]silane?
dimethyl-(2,3,4,5,6-pentafluorophenyl)-[[4-(trifluoromethyl)phenyl]methoxy]silane has a molecular weight of 400.34 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2,3,4,5,6-pentafluorophenyl)-[[4-(trifluoromethyl)phenyl]methoxy]silane is sourced from PubChem (CID 91723473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).