N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-1,1,1-trifluoromethanesulfonamide

C15H24F3NO3SSi — CID 135074447

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)(C)[Si](C)(C)OC(CNS(=O)(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H24F3NO3SSi/c1-14(2,3)24(4,5)22-13(12-9-7-6-8-10-12)11-19-23(20,21)15(16,17)18/h6-10,13,19H,11H2,1-5H3
InChIKeyNZFPWCNDNBZOSN-UHFFFAOYSA-N
MW383.51 g/mol
LogP4.19
Rot. Bonds6

About N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-1,1,1-trifluoromethanesulfonamide

N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 135074447) has the molecular formula C15H24F3NO3SSi and a molecular weight of 383.51 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID135074447
Molecular FormulaC15H24F3NO3SSi
Molecular Weight383.51 g/mol
Exact Mass383.12
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)(C)[Si](C)(C)OC(CNS(=O)(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H24F3NO3SSi/c1-14(2,3)24(4,5)22-13(12-9-7-6-8-10-12)11-19-23(20,21)15(16,17)18/h6-10,13,19H,11H2,1-5H3
InChIKeyNZFPWCNDNBZOSN-UHFFFAOYSA-N
XLogP4.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-1,1,1-trifluoromethanesulfonamide (CID 135074447) is N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-1,1,1-trifluoromethanesulfonamide is CC(C)(C)[Si](C)(C)OC(CNS(=O)(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is NZFPWCNDNBZOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO3SSi/c1-14(2,3)24(4,5)22-13(12-9-7-6-8-10-12)11-19-23(20,21)15(16,17)18/h6-10,13,19H,11H2,1-5H3.
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-1,1,1-trifluoromethanesulfonamide?
N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 383.51 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 135074447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).