2,2,2-trifluoroethyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate

C24H32F3NO3Si — CID 11005148

IUPAC2,2,2-trifluoroethyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OCC(F)(F)F
InChIInChI=1S/C24H32F3NO3Si/c1-19(2)28(22(29)30-18-24(25,26)27)16-17-31-32(23(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19H,16-18H2,1-5H3
InChIKeyGIZIXSNIXAFJLV-UHFFFAOYSA-N
MW467.60 g/mol
LogP4.97
Rot. Bonds8

About 2,2,2-trifluoroethyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate

2,2,2-trifluoroethyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate (PubChem CID 11005148) has the molecular formula C24H32F3NO3Si and a molecular weight of 467.60 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
PubChem CID11005148
Molecular FormulaC24H32F3NO3Si
Molecular Weight467.60 g/mol
Exact Mass467.21
IUPAC Name2,2,2-trifluoroethyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OCC(F)(F)F
InChIInChI=1S/C24H32F3NO3Si/c1-19(2)28(22(29)30-18-24(25,26)27)16-17-31-32(23(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19H,16-18H2,1-5H3
InChIKeyGIZIXSNIXAFJLV-UHFFFAOYSA-N
XLogP4.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(S)-tert-butyl 2-((tert-butyldiphenylsilyloxy)methyl)-2,3-dihydro-1H-pyrrole-1-carboxylate
CID 13008516
tert-butyl N-[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[methyl-(2,2,2-trifluoroacetyl)amino]butyl]-N-propan-2-ylcarbamate
CID 58006837
tert-butyl 4-[(2R)-2-[tert-butyl(diphenyl)silyl]oxy-3-fluoropropyl]piperazine-1-carboxylate
CID 58080117
tert-butyl 4-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-fluoropropyl]piperazine-1-carboxylate
CID 58080217
Tert-butyl 4-[2-[tert-butyl(diphenyl)silyl]oxy-3-fluoropropyl]piperazine-1-carboxylate
CID 66723636
Tert-butyl 3-(tert-butyldiphenylsilyloxy)-1,1,1-trifluoropropan-2-ylcarbamate
CID 68294202
[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[methyl-(2,2,2-trifluoroacetyl)amino]butyl]-propan-2-ylcarbamic acid
CID 87582446
[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[methyl-(2,2,2-trifluoroacetyl)amino]butyl] N-tert-butyl-N-propan-2-ylcarbamate
CID 91071314
Butyl 4-[2-[tert-butyl(diphenyl)silyl]oxy-3-fluoropropyl]piperazine-1-carboxylate
CID 141325288
tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(trifluoromethylsulfonyloxy)-2,5-dihydropyrrole-1-carboxylate
CID 141674264
CID 144324183
CID 144324183
CID 144324241
CID 144324241

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate (CID 11005148) is 2,2,2-trifluoroethyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate is CC(C)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate?
The InChIKey is GIZIXSNIXAFJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3NO3Si/c1-19(2)28(22(29)30-18-24(25,26)27)16-17-31-32(23(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19H,16-18H2,1-5H3.
What are the key properties of 2,2,2-trifluoroethyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate?
2,2,2-trifluoroethyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate has a molecular weight of 467.60 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 11005148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).