N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoroacetamide

C16H26F3NO3Si2 — CID 553666

IUPACN-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoroacetamide
SMILESC[Si](C)(C)Oc1ccc(CCNC(=O)C(F)(F)F)cc1O[Si](C)(C)C
InChIInChI=1S/C16H26F3NO3Si2/c1-24(2,3)22-13-8-7-12(11-14(13)23-25(4,5)6)9-10-20-15(21)16(17,18)19/h7-8,11H,9-10H2,1-6H3,(H,20,21)
InChIKeyZCEWWXVUIBGTRB-UHFFFAOYSA-N
MW393.55 g/mol
LogP4.34
Rot. Bonds7

About N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoroacetamide

N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 553666) has the molecular formula C16H26F3NO3Si2 and a molecular weight of 393.55 g/mol. Its IUPAC name is N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoroacetamide
PubChem CID553666
Molecular FormulaC16H26F3NO3Si2
Molecular Weight393.55 g/mol
Exact Mass393.14
IUPAC NameN-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoroacetamide
SMILESC[Si](C)(C)Oc1ccc(CCNC(=O)C(F)(F)F)cc1O[Si](C)(C)C
InChIInChI=1S/C16H26F3NO3Si2/c1-24(2,3)22-13-8-7-12(11-14(13)23-25(4,5)6)9-10-20-15(21)16(17,18)19/h7-8,11H,9-10H2,1-6H3,(H,20,21)
InChIKeyZCEWWXVUIBGTRB-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Acetyldopamine
CID 100526
N-[2-(3,4-dihydroxyphenyl)ethyl]-2,2,2-trifluoroacetamide
CID 2324670
Acetamide, N-(2-(3,4-dimethoxyphenyl)ethyl)-2,2,2-trifluoro-
CID 592128
(5Z,8Z,11Z,14Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]icosa-5,8,11,14-tetraenamide; (6Z,9Z,12Z,15Z)-1,1,1-trifluorohenicosa-6,9,12,15-tetraen-2-one
CID 6483058
N-(Trifluoroacetyl)-O,O',O''-tris(trimethylsilyl)norepinephrine
CID 553889
N-(Trifluoracetyl)-O,O',O''-tris(trimethylsilyl)epinephrine
CID 553891
N-Trifluoroacetyl-O,O'-bis(trimethylsilyl)-l-dopa, trimethylsilyl ester
CID 622431
Pentafluoropropionyl-dopamine
CID 129718858
3,4-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]benzeneethanamine
CID 10883445
N-2-(3',4'-ditriethylsilyloxyphenyl)ethyl methacrylamide
CID 134716501
N-[2-[3,4-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]ethyl]-2-propenamide
CID 167713619
Adrenaline, N-HFB-O-TMS
CID 6427695

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoroacetamide (CID 553666) is N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoroacetamide is C[Si](C)(C)Oc1ccc(CCNC(=O)C(F)(F)F)cc1O[Si](C)(C)C.
What is the InChIKey of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is ZCEWWXVUIBGTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3NO3Si2/c1-24(2,3)22-13-8-7-12(11-14(13)23-25(4,5)6)9-10-20-15(21)16(17,18)19/h7-8,11H,9-10H2,1-6H3,(H,20,21).
What are the key properties of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoroacetamide?
N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 393.55 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 553666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).