2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide

C16H26F3NO3Si2 — CID 6428508

IUPAC2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide
SMILESC[Si](C)(C)Oc1ccc(C(CNC(=O)C(F)(F)F)O[Si](C)(C)C)cc1
InChIInChI=1S/C16H26F3NO3Si2/c1-24(2,3)22-13-9-7-12(8-10-13)14(23-25(4,5)6)11-20-15(21)16(17,18)19/h7-10,14H,11H2,1-6H3,(H,20,21)
InChIKeySASUBSUPDWOBGU-UHFFFAOYSA-N
MW393.55 g/mol
LogP4.47
Rot. Bonds7

About 2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide

2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide (PubChem CID 6428508) has the molecular formula C16H26F3NO3Si2 and a molecular weight of 393.55 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide
PubChem CID6428508
Molecular FormulaC16H26F3NO3Si2
Molecular Weight393.55 g/mol
Exact Mass393.14
IUPAC Name2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide
SMILESC[Si](C)(C)Oc1ccc(C(CNC(=O)C(F)(F)F)O[Si](C)(C)C)cc1
InChIInChI=1S/C16H26F3NO3Si2/c1-24(2,3)22-13-9-7-12(8-10-13)14(23-25(4,5)6)11-20-15(21)16(17,18)19/h7-10,14H,11H2,1-6H3,(H,20,21)
InChIKeySASUBSUPDWOBGU-UHFFFAOYSA-N
XLogP4.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide 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

N-Acetyloctopamine
CID 193691
Pholedrine, N-TFA-O-TMS
CID 529772
N-(Trifluoroacetyl)-O,O'-bis(trimethylsilyl) dopamine
CID 553666
N-(Trifluoroacetyl)-O,O',O''-tris(trimethylsilyl)norepinephrine
CID 553889
N-(Trifluoracetyl)-O,O',O''-tris(trimethylsilyl)epinephrine
CID 553891
Norephedrine, N-TFA-O-TMS
CID 6428506
2,2,2-trifluoro-N-[(1R,2R)-1-phenyl-1-trimethylsilyloxypropan-2-yl]acetamide
CID 10990790
2,2,2-trifluoro-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]acetamide
CID 11771549
2,2,2-trifluoro-N-[(1R,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]acetamide
CID 134871977
Noradrenaline, N-HFB-O-TMS
CID 6427698
Normethanephrine, N-TFA-O-TMS
CID 6427699
2Amino-1-phenylethanol, N-TFA-O-TMS
CID 6428499

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide (CID 6428508) is 2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide is C[Si](C)(C)Oc1ccc(C(CNC(=O)C(F)(F)F)O[Si](C)(C)C)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide?
The InChIKey is SASUBSUPDWOBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3NO3Si2/c1-24(2,3)22-13-9-7-12(8-10-13)14(23-25(4,5)6)11-20-15(21)16(17,18)19/h7-10,14H,11H2,1-6H3,(H,20,21).
What are the key properties of 2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide has a molecular weight of 393.55 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide is sourced from PubChem (CID 6428508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).