3-ethoxy-4,4,4-trifluoro-N,N-dimethyl-1-phenyl-3-trimethylsilyloxybutan-2-amine

C17H28F3NO2Si — CID 10666425

IUPAC3-ethoxy-4,4,4-trifluoro-N,N-dimethyl-1-phenyl-3-trimethylsilyloxybutan-2-amine
SMILESCCOC(O[Si](C)(C)C)(C(Cc1ccccc1)N(C)C)C(F)(F)F
InChIInChI=1S/C17H28F3NO2Si/c1-7-22-16(17(18,19)20,23-24(4,5)6)15(21(2)3)13-14-11-9-8-10-12-14/h8-12,15H,7,13H2,1-6H3
InChIKeyZAVJQVLUJDQLTJ-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.31
Rot. Bonds8

About 3-ethoxy-4,4,4-trifluoro-N,N-dimethyl-1-phenyl-3-trimethylsilyloxybutan-2-amine

3-ethoxy-4,4,4-trifluoro-N,N-dimethyl-1-phenyl-3-trimethylsilyloxybutan-2-amine (PubChem CID 10666425) has the molecular formula C17H28F3NO2Si and a molecular weight of 363.50 g/mol. Its IUPAC name is 3-ethoxy-4,4,4-trifluoro-N,N-dimethyl-1-phenyl-3-trimethylsilyloxybutan-2-amine.

Molecular Properties

Compound Name3-ethoxy-4,4,4-trifluoro-N,N-dimethyl-1-phenyl-3-trimethylsilyloxybutan-2-amine
PubChem CID10666425
Molecular FormulaC17H28F3NO2Si
Molecular Weight363.50 g/mol
Exact Mass363.18
IUPAC Name3-ethoxy-4,4,4-trifluoro-N,N-dimethyl-1-phenyl-3-trimethylsilyloxybutan-2-amine
SMILESCCOC(O[Si](C)(C)C)(C(Cc1ccccc1)N(C)C)C(F)(F)F
InChIInChI=1S/C17H28F3NO2Si/c1-7-22-16(17(18,19)20,23-24(4,5)6)15(21(2)3)13-14-11-9-8-10-12-14/h8-12,15H,7,13H2,1-6H3
InChIKeyZAVJQVLUJDQLTJ-UHFFFAOYSA-N
XLogP4.31
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4,4,4-trifluoro-N,N-dimethyl-1-phenyl-3-trimethylsilyloxybutan-2-amine?
The IUPAC name of 3-ethoxy-4,4,4-trifluoro-N,N-dimethyl-1-phenyl-3-trimethylsilyloxybutan-2-amine (CID 10666425) is 3-ethoxy-4,4,4-trifluoro-N,N-dimethyl-1-phenyl-3-trimethylsilyloxybutan-2-amine.
What is the SMILES notation for 3-ethoxy-4,4,4-trifluoro-N,N-dimethyl-1-phenyl-3-trimethylsilyloxybutan-2-amine?
The canonical SMILES for 3-ethoxy-4,4,4-trifluoro-N,N-dimethyl-1-phenyl-3-trimethylsilyloxybutan-2-amine is CCOC(O[Si](C)(C)C)(C(Cc1ccccc1)N(C)C)C(F)(F)F.
What is the InChIKey of 3-ethoxy-4,4,4-trifluoro-N,N-dimethyl-1-phenyl-3-trimethylsilyloxybutan-2-amine?
The InChIKey is ZAVJQVLUJDQLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3NO2Si/c1-7-22-16(17(18,19)20,23-24(4,5)6)15(21(2)3)13-14-11-9-8-10-12-14/h8-12,15H,7,13H2,1-6H3.
What are the key properties of 3-ethoxy-4,4,4-trifluoro-N,N-dimethyl-1-phenyl-3-trimethylsilyloxybutan-2-amine?
3-ethoxy-4,4,4-trifluoro-N,N-dimethyl-1-phenyl-3-trimethylsilyloxybutan-2-amine has a molecular weight of 363.50 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4,4,4-trifluoro-N,N-dimethyl-1-phenyl-3-trimethylsilyloxybutan-2-amine is sourced from PubChem (CID 10666425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).