[1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]methyl-dimethylsilane

C17H17ClF3NO3Si — CID 123273601

IUPAC[1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]methyl-dimethylsilane
SMILESC[SiH](C)COC(c1ccc(Cl)cc1)(c1ccc([N+](=O)[O-])cc1)C(F)(F)F
InChIInChI=1S/C17H17ClF3NO3Si/c1-26(2)11-25-16(17(19,20)21,12-3-7-14(18)8-4-12)13-5-9-15(10-6-13)22(23)24/h3-10,26H,11H2,1-2H3
InChIKeyZGYONRSXURXKQM-UHFFFAOYSA-N
MW403.86 g/mol
LogP5.10
Rot. Bonds6

About [1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]methyl-dimethylsilane

[1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]methyl-dimethylsilane (PubChem CID 123273601) has the molecular formula C17H17ClF3NO3Si and a molecular weight of 403.86 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]methyl-dimethylsilane.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]methyl-dimethylsilane
PubChem CID123273601
Molecular FormulaC17H17ClF3NO3Si
Molecular Weight403.86 g/mol
Exact Mass403.06
IUPAC Name[1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]methyl-dimethylsilane
SMILESC[SiH](C)COC(c1ccc(Cl)cc1)(c1ccc([N+](=O)[O-])cc1)C(F)(F)F
InChIInChI=1S/C17H17ClF3NO3Si/c1-26(2)11-25-16(17(19,20)21,12-3-7-14(18)8-4-12)13-5-9-15(10-6-13)22(23)24/h3-10,26H,11H2,1-2H3
InChIKeyZGYONRSXURXKQM-UHFFFAOYSA-N
XLogP5.10
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.86
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(4-Chlorophenyl)methoxymethyl]-4-nitrobenzene
CID 155527054
4-Chloro-2-fluoro-1-[(4-nitrophenyl)methoxymethyl]benzene
CID 155534061
1-[(S)-(4-chlorophenyl)-(trifluoromethoxy)methyl]-4-nitrobenzene
CID 134961286
1-Phenyl-1-(4-nitrophenyl)-1-(trimethylsiloxy)-2,2,2-trifluoroethane
CID 16081811
4-{1-(4-Chlorophenyl)-2,2,2-trifluoro-1-[(trimethylsilyl)-oxy]ethyl}aniline
CID 67172414
[1-(4-Chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]-(trimethyl)silane
CID 67337560
1-[1-(4-Chlorophenyl)-2,2,2-trifluoro-1-propan-2-yloxyethyl]-4-nitrobenzene
CID 91005284
1-(4-Chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethanol
CID 91079756
4-[1-(4-Chlorophenyl)-1-ethoxy-2,2,2-trifluoroethyl]aniline
CID 91510747
4-[1-(4-Chlorophenyl)-1-(dimethylsilylmethoxy)-2,2,2-trifluoroethyl]aniline
CID 123685522
4-[1-(4-Chlorophenyl)-1-(dimethylsilylmethoxy)-2,2,2-trifluoroethyl]aniline;[1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]methyl-dimethylsilane
CID 161218201
1-(4-Chlorophenyl)-2,2,3,3,3-pentafluoro-1-(4-nitrophenyl)propan-1-ol
CID 162511744

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]methyl-dimethylsilane?
The IUPAC name of [1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]methyl-dimethylsilane (CID 123273601) is [1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]methyl-dimethylsilane.
What is the SMILES notation for [1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]methyl-dimethylsilane?
The canonical SMILES for [1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]methyl-dimethylsilane is C[SiH](C)COC(c1ccc(Cl)cc1)(c1ccc([N+](=O)[O-])cc1)C(F)(F)F.
What is the InChIKey of [1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]methyl-dimethylsilane?
The InChIKey is ZGYONRSXURXKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3NO3Si/c1-26(2)11-25-16(17(19,20)21,12-3-7-14(18)8-4-12)13-5-9-15(10-6-13)22(23)24/h3-10,26H,11H2,1-2H3.
What are the key properties of [1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]methyl-dimethylsilane?
[1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]methyl-dimethylsilane has a molecular weight of 403.86 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]methyl-dimethylsilane is sourced from PubChem (CID 123273601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).