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

C24H30F3NO2Si — CID 89485882

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 NameN-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2,2-trifluoroacetamide
PubChem CID89485882
Molecular FormulaC24H30F3NO2Si
Molecular Weight449.59 g/mol
Exact Mass449.20
IUPAC NameN-[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
XLogP4.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.59
LogP ≤ 54.55
H-Bond Donors ≤ 51
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-[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).