2,2,2-trifluoro-N-methyl-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide

C15H22F3NO2Si — CID 529772

IUPAC2,2,2-trifluoro-N-methyl-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide
SMILESCC(Cc1ccc(O[Si](C)(C)C)cc1)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C15H22F3NO2Si/c1-11(19(2)14(20)15(16,17)18)10-12-6-8-13(9-7-12)21-22(3,4)5/h6-9,11H,10H2,1-5H3
InChIKeyBXTHWTVTDNVFJY-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.85
Rot. Bonds5

About 2,2,2-trifluoro-N-methyl-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide

2,2,2-trifluoro-N-methyl-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide (PubChem CID 529772) has the molecular formula C15H22F3NO2Si and a molecular weight of 333.43 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide
PubChem CID529772
Molecular FormulaC15H22F3NO2Si
Molecular Weight333.43 g/mol
Exact Mass333.14
IUPAC Name2,2,2-trifluoro-N-methyl-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide
SMILESCC(Cc1ccc(O[Si](C)(C)C)cc1)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C15H22F3NO2Si/c1-11(19(2)14(20)15(16,17)18)10-12-6-8-13(9-7-12)21-22(3,4)5/h6-9,11H,10H2,1-5H3
InChIKeyBXTHWTVTDNVFJY-UHFFFAOYSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 6428509
p-Hydroxynorephedrine, N-TFA-O-TMS
CID 6428510
Hydroxyclobenzorex N-TFA-O-TMS
CID 91747733
Hydroxybenzorex N-TFA-O-TMS
CID 91753852
Hydroxyephedrine N-TFA-bis-O-TMS
CID 91753853

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide (CID 529772) is 2,2,2-trifluoro-N-methyl-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide is CC(Cc1ccc(O[Si](C)(C)C)cc1)N(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide?
The InChIKey is BXTHWTVTDNVFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2Si/c1-11(19(2)14(20)15(16,17)18)10-12-6-8-13(9-7-12)21-22(3,4)5/h6-9,11H,10H2,1-5H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide?
2,2,2-trifluoro-N-methyl-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide has a molecular weight of 333.43 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 529772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).