dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-phenylethoxy)silane

C16H15F5OSi — CID 555830

IUPACdimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-phenylethoxy)silane
SMILESC[Si](C)(OCCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H15F5OSi/c1-23(2,22-9-8-10-6-4-3-5-7-10)16-14(20)12(18)11(17)13(19)15(16)21/h3-7H,8-9H2,1-2H3
InChIKeyGKFQCCYQNNLJQS-UHFFFAOYSA-N
MW346.37 g/mol
LogP4.05
Rot. Bonds5

About dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-phenylethoxy)silane

dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-phenylethoxy)silane (PubChem CID 555830) has the molecular formula C16H15F5OSi and a molecular weight of 346.37 g/mol. Its IUPAC name is dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-phenylethoxy)silane.

Molecular Properties

Compound Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-phenylethoxy)silane
PubChem CID555830
Molecular FormulaC16H15F5OSi
Molecular Weight346.37 g/mol
Exact Mass346.08
IUPAC Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-phenylethoxy)silane
SMILESC[Si](C)(OCCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H15F5OSi/c1-23(2,22-9-8-10-6-4-3-5-7-10)16-14(20)12(18)11(17)13(19)15(16)21/h3-7H,8-9H2,1-2H3
InChIKeyGKFQCCYQNNLJQS-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 54.05
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

Silane, trimethyl(2-phenylethoxy)-
CID 518978
Triethylsilyloxymethyl-4-fluorobenzene
CID 11107483
tert-Butyl(4-fluorobenzyloxy)dimethylsilane
CID 13861700
Dimethyl(diphenylmethoxy)(pentafluorophenyl)silane
CID 4581060
2-Fluorobenzyl alcohol, tert-butyldimethylsilyl ether
CID 91728155
Fluoro(fluoromethyl)(2-phenylethoxy)(trifluoromethyl)silane
CID 53400579
[(E)-7-(4-fluorophenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane
CID 12965436
Tert-butyl-[(3,5-difluorophenyl)methoxy]-dimethylsilane
CID 154720097
(2,2-Difluoro-1-phenylbut-3-enoxy)-triethylsilane
CID 166519402
Triethyl(3-phenylpropoxy)silane
CID 561771
Silane, triethyl(2-phenylethoxy)-
CID 610043
1-Triisopropylsilyloxy-3-phenylpropane
CID 619294

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-phenylethoxy)silane?
The IUPAC name of dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-phenylethoxy)silane (CID 555830) is dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-phenylethoxy)silane.
What is the SMILES notation for dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-phenylethoxy)silane?
The canonical SMILES for dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-phenylethoxy)silane is C[Si](C)(OCCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-phenylethoxy)silane?
The InChIKey is GKFQCCYQNNLJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F5OSi/c1-23(2,22-9-8-10-6-4-3-5-7-10)16-14(20)12(18)11(17)13(19)15(16)21/h3-7H,8-9H2,1-2H3.
What are the key properties of dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-phenylethoxy)silane?
dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-phenylethoxy)silane has a molecular weight of 346.37 g/mol, XLogP of 4.05, 5 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)-(2-phenylethoxy)silane is sourced from PubChem (CID 555830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).