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

C17H17ClF3NO3Si — CID 67337560

IUPAC[1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(c1ccc(Cl)cc1)(c1ccc([N+](=O)[O-])cc1)C(F)(F)F
InChIInChI=1S/C17H17ClF3NO3Si/c1-26(2,3)25-16(17(19,20)21,12-4-8-14(18)9-5-12)13-6-10-15(11-7-13)22(23)24/h4-11H,1-3H3
InChIKeySCFPXNPIBKBFTM-UHFFFAOYSA-N
MW403.86 g/mol
LogP5.91
Rot. Bonds5

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

[1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]-trimethylsilane (PubChem CID 67337560) 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]-trimethylsilane.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]-trimethylsilane
PubChem CID67337560
Molecular FormulaC17H17ClF3NO3Si
Molecular Weight403.86 g/mol
Exact Mass403.06
IUPAC Name[1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(c1ccc(Cl)cc1)(c1ccc([N+](=O)[O-])cc1)C(F)(F)F
InChIInChI=1S/C17H17ClF3NO3Si/c1-26(2,3)25-16(17(19,20)21,12-4-8-14(18)9-5-12)13-6-10-15(11-7-13)22(23)24/h4-11H,1-3H3
InChIKeySCFPXNPIBKBFTM-UHFFFAOYSA-N
XLogP5.91
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.86
LogP ≤ 55.91
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

Trimethyl-[1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-yl]oxysilane
CID 86223117
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-[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
[1-(4-Chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]methyl-dimethylsilane
CID 123273601
4-[1-(4-Chlorophenyl)-1-(dimethylsilylmethoxy)-2,2,2-trifluoroethyl]aniline
CID 123685522
1-(4-Chlorophenyl)-2,2,2-trifluoro-1-(3-nitrophenyl)ethanol
CID 140304250
1-(3-Chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethanol
CID 140304722
1-(4-Chlorophenyl)-2,2,2-trifluoro-1-(2-nitrophenyl)ethanol
CID 140304785
1-(2-Chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethanol
CID 140304812

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]-trimethylsilane?
The IUPAC name of [1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]-trimethylsilane (CID 67337560) is [1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]-trimethylsilane.
What is the SMILES notation for [1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]-trimethylsilane?
The canonical SMILES for [1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]-trimethylsilane is C[Si](C)(C)OC(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]-trimethylsilane?
The InChIKey is SCFPXNPIBKBFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3NO3Si/c1-26(2,3)25-16(17(19,20)21,12-4-8-14(18)9-5-12)13-6-10-15(11-7-13)22(23)24/h4-11H,1-3H3.
What are the key properties of [1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]-trimethylsilane?
[1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]-trimethylsilane has a molecular weight of 403.86 g/mol, XLogP of 5.91, 5 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]-trimethylsilane is sourced from PubChem (CID 67337560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).