N-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2,2-trifluoroacetamide

Name: N-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2,2-trifluoroacetamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₄H₃₀F₃NO₂Si — CID 89485882

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACN-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2,2-trifluoroacetamide

SMILESCC(C)(C)[Si](OC1CCC(NC(=O)C(F)(F)F)CC1)(c1ccccc1)c1ccccc1

InChIInChI=1S/C24H30F3NO2Si/c1-23(2,3)31(20-10-6-4-7-11-20,21-12-8-5-9-13-21)30-19-16-14-18(15-17-19)28-22(29)24(25,26)27/h4-13,18-19H,14-17H2,1-3H3,(H,28,29)

InChIKeyMIBKAKZEXFJJRJ-UHFFFAOYSA-N

MW449.59 g/mol

LogP4.55

Rot. Bonds5

About N-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2,2-trifluoroacetamide

N-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2,2-trifluoroacetamide (PubChem CID 89485882) has the molecular formula C₂₄H₃₀F₃NO₂Si and a molecular weight of 449.59 g/mol. Its IUPAC name is N-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound Name	N-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2,2-trifluoroacetamide
PubChem CID	89485882
Molecular Formula	C₂₄H₃₀F₃NO₂Si
Molecular Weight	449.59 g/mol
Exact Mass	449.20
IUPAC Name	N-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2,2-trifluoroacetamide
SMILES	CC(C)(C)[Si](OC1CCC(NC(=O)C(F)(F)F)CC1)(c1ccccc1)c1ccccc1
InChI	InChI=1S/C24H30F3NO2Si/c1-23(2,3)31(20-10-6-4-7-11-20,21-12-8-5-9-13-21)30-19-16-14-18(15-17-19)28-22(29)24(25,26)27/h4-13,18-19H,14-17H2,1-3H3,(H,28,29)
InChIKey	MIBKAKZEXFJJRJ-UHFFFAOYSA-N
XLogP	4.55
TPSA	38.33 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	5
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.59
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2,2-trifluoroacetamide?

The IUPAC name of N-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2,2-trifluoroacetamide (CID 89485882) is N-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2,2-trifluoroacetamide.

What is the SMILES notation for N-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2,2-trifluoroacetamide?

The canonical SMILES for N-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2,2-trifluoroacetamide is CC(C)(C)[Si](OC1CCC(NC(=O)C(F)(F)F)CC1)(c1ccccc1)c1ccccc1.

What is the InChIKey of N-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2,2-trifluoroacetamide?

The InChIKey is MIBKAKZEXFJJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3NO2Si/c1-23(2,3)31(20-10-6-4-7-11-20,21-12-8-5-9-13-21)30-19-16-14-18(15-17-19)28-22(29)24(25,26)27/h4-13,18-19H,14-17H2,1-3H3,(H,28,29).

What are the key properties of N-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2,2-trifluoroacetamide?

N-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2,2-trifluoroacetamide has a molecular weight of 449.59 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 89485882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 89485882 — identifiers, structure, computed properties (public domain)

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