tert-butyl-[[(2R,3R)-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]aziridin-2-yl]methoxy]-dimethylsilane

C20H32F3NOSi — CID 91317259

IUPACtert-butyl-[[(2R,3R)-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]aziridin-2-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)N1[C@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H32F3NOSi/c1-18(2,3)24-16(13-25-26(7,8)19(4,5)6)17(24)14-9-11-15(12-10-14)20(21,22)23/h9-12,16-17H,13H2,1-8H3/t16-,17+,24?/m0/s1
InChIKeySEXZXBTUWPLBAP-HSQXHLSASA-N
MW387.56 g/mol
LogP6.25
Rot. Bonds4

About tert-butyl-[[(2R,3R)-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]aziridin-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2R,3R)-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]aziridin-2-yl]methoxy]-dimethylsilane (PubChem CID 91317259) has the molecular formula C20H32F3NOSi and a molecular weight of 387.56 g/mol. Its IUPAC name is tert-butyl-[[(2R,3R)-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]aziridin-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3R)-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]aziridin-2-yl]methoxy]-dimethylsilane
PubChem CID91317259
Molecular FormulaC20H32F3NOSi
Molecular Weight387.56 g/mol
Exact Mass387.22
IUPAC Nametert-butyl-[[(2R,3R)-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]aziridin-2-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)N1[C@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H32F3NOSi/c1-18(2,3)24-16(13-25-26(7,8)19(4,5)6)17(24)14-9-11-15(12-10-14)20(21,22)23/h9-12,16-17H,13H2,1-8H3/t16-,17+,24?/m0/s1
InChIKeySEXZXBTUWPLBAP-HSQXHLSASA-N
XLogP6.25
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.56
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(2R,3R)-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]aziridin-2-yl]methoxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,3S)-1-benzyl-3-(trifluoromethyl)aziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 102014998
(E,1S)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethyl-2-propyl-1-[4-(trifluoromethyl)phenyl]hex-2-en-1-amine
CID 135001042
[(2S,3R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 23243952
[(2S,3R)-1-benzyl-3-phenylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 102014997
[(2R,3R)-1-benzyl-3-methylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10891631
tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-(trifluoromethyl)phenyl]aziridine-1-carboxylate
CID 57634016
tert-butyl-[(3R)-1-tert-butyl-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane
CID 66691149
tert-butyl-[(3S)-1-tert-butyl-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane
CID 68298459
Tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-(trifluoromethyl)phenyl]aziridine-1-carboxylate
CID 76571231
(2R,3R)-tert-butyl 2-((tert-butyldimethylsilyloxy)methyl)-3-(4-(trifluoromethyl)phenyl)aziridine-1-carboxylate
CID 86613771
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-(trifluoromethyl)phenyl]aziridine-1-carboxylic acid
CID 87263958
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-(trifluoromethyl)phenyl]aziridine-1-carboxylate
CID 88872150

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3R)-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]aziridin-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2R,3R)-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]aziridin-2-yl]methoxy]-dimethylsilane (CID 91317259) is tert-butyl-[[(2R,3R)-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]aziridin-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3R)-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]aziridin-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2R,3R)-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]aziridin-2-yl]methoxy]-dimethylsilane is CC(C)(C)N1[C@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(2R,3R)-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]aziridin-2-yl]methoxy]-dimethylsilane?
The InChIKey is SEXZXBTUWPLBAP-HSQXHLSASA-N. The full InChI is InChI=1S/C20H32F3NOSi/c1-18(2,3)24-16(13-25-26(7,8)19(4,5)6)17(24)14-9-11-15(12-10-14)20(21,22)23/h9-12,16-17H,13H2,1-8H3/t16-,17+,24?/m0/s1.
What are the key properties of tert-butyl-[[(2R,3R)-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]aziridin-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2R,3R)-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]aziridin-2-yl]methoxy]-dimethylsilane has a molecular weight of 387.56 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,3R)-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]aziridin-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 91317259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).