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

C16H14ClF5OSi — CID 91738936

IUPAC2-(4-chlorophenyl)ethoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESC[Si](C)(OCCc1ccc(Cl)cc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H14ClF5OSi/c1-24(2,23-8-7-9-3-5-10(17)6-4-9)16-14(21)12(19)11(18)13(20)15(16)22/h3-6H,7-8H2,1-2H3
InChIKeyQUIADFHEQKSWFM-UHFFFAOYSA-N
MW380.82 g/mol
LogP4.71
Rot. Bonds5

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

2-(4-chlorophenyl)ethoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 91738936) has the molecular formula C16H14ClF5OSi and a molecular weight of 380.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)ethoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Name2-(4-chlorophenyl)ethoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID91738936
Molecular FormulaC16H14ClF5OSi
Molecular Weight380.82 g/mol
Exact Mass380.04
IUPAC Name2-(4-chlorophenyl)ethoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESC[Si](C)(OCCc1ccc(Cl)cc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H14ClF5OSi/c1-24(2,23-8-7-9-3-5-10(17)6-4-9)16-14(21)12(19)11(18)13(20)15(16)22/h3-6H,7-8H2,1-2H3
InChIKeyQUIADFHEQKSWFM-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.82
LogP ≤ 54.71
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-Phenylethanol, dimethylpentafluorophenylsilyl ether
CID 555830
(2,5-Dichlorophenyl)methanol, dimethylpentafluorophenylsilyl ether
CID 91723516
2-Chloro-6-fluorobenzyl alcohol, benzyldimethylsilyl ether
CID 91735267
(2,6-Dichlorophenyl)metanol, dimethylpentafluorophenylsilyl ether
CID 91744443
[(4-Chlorophenyl)-(3-fluorophenyl)methoxy]-dimethyl-phenylsilane
CID 178337030
1-Chloro-4-dimethyl(pentafluorophenyl)silyloxymethylbenzene
CID 580484
1-Chloro-2-fluoro-4-[4-(2-methoxyethyl)phenyl]benzene
CID 20084095
4-(4-Chloro-3-fluorophenyl)-1-fluoro-1-(5-methoxypentyl)silinane
CID 53753317
{[3-(3-Chloro-4-fluorophenyl)-3-buten-1-yl]oxy}(1,1-dimethylethyl)diphenylsilane
CID 59256021
Tert-butyl-[3-[4-chloro-3-(trifluoromethyl)phenyl]but-3-enoxy]-diphenylsilane
CID 59256022
4-(4-Chloro-3-fluorophenyl)-1-fluoro-1-(1-methoxypentyl)silinane
CID 67566473
Tert-butyl-[2-(3-chloro-4-fluorophenyl)pent-4-enoxy]-dimethylsilane
CID 68294181

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)ethoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of 2-(4-chlorophenyl)ethoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (CID 91738936) is 2-(4-chlorophenyl)ethoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for 2-(4-chlorophenyl)ethoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for 2-(4-chlorophenyl)ethoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is C[Si](C)(OCCc1ccc(Cl)cc1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-(4-chlorophenyl)ethoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is QUIADFHEQKSWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF5OSi/c1-24(2,23-8-7-9-3-5-10(17)6-4-9)16-14(21)12(19)11(18)13(20)15(16)22/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)ethoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
2-(4-chlorophenyl)ethoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 380.82 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)ethoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 91738936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).