N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,2-trifluoroacetamide

C20H27ClF3NO2Si — CID 91744234

IUPACN-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)[Si](C)(C)N(C(=O)C(F)(F)F)C1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C20H27ClF3NO2Si/c1-18(2,3)28(4,5)25(17(27)20(22,23)24)19(13-9-8-12-16(19)26)14-10-6-7-11-15(14)21/h6-7,10-11H,8-9,12-13H2,1-5H3
InChIKeyZIPILSGVIXTDFM-UHFFFAOYSA-N
MW433.97 g/mol
LogP6.07
Rot. Bonds3

About N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,2-trifluoroacetamide

N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,2-trifluoroacetamide (PubChem CID 91744234) has the molecular formula C20H27ClF3NO2Si and a molecular weight of 433.97 g/mol. Its IUPAC name is N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,2-trifluoroacetamide
PubChem CID91744234
Molecular FormulaC20H27ClF3NO2Si
Molecular Weight433.97 g/mol
Exact Mass433.15
IUPAC NameN-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)[Si](C)(C)N(C(=O)C(F)(F)F)C1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C20H27ClF3NO2Si/c1-18(2,3)28(4,5)25(17(27)20(22,23)24)19(13-9-8-12-16(19)26)14-10-6-7-11-15(14)21/h6-7,10-11H,8-9,12-13H2,1-5H3
InChIKeyZIPILSGVIXTDFM-UHFFFAOYSA-N
XLogP6.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.97
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,2-trifluoroacetamide (CID 91744234) is N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,2-trifluoroacetamide is CC(C)(C)[Si](C)(C)N(C(=O)C(F)(F)F)C1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,2-trifluoroacetamide?
The InChIKey is ZIPILSGVIXTDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClF3NO2Si/c1-18(2,3)28(4,5)25(17(27)20(22,23)24)19(13-9-8-12-16(19)26)14-10-6-7-11-15(14)21/h6-7,10-11H,8-9,12-13H2,1-5H3.
What are the key properties of N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,2-trifluoroacetamide?
N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,2-trifluoroacetamide has a molecular weight of 433.97 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 91744234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).