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

C19H34F3NO4Si3 — CID 553889

IUPACN-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoroacetamide
SMILESC[Si](C)(C)Oc1ccc(C(CNC(=O)C(F)(F)F)O[Si](C)(C)C)cc1O[Si](C)(C)C
InChIInChI=1S/C19H34F3NO4Si3/c1-28(2,3)25-15-11-10-14(12-16(15)26-29(4,5)6)17(27-30(7,8)9)13-23-18(24)19(20,21)22/h10-12,17H,13H2,1-9H3,(H,23,24)
InChIKeyCRFVINPEQAEMIM-UHFFFAOYSA-N
MW481.74 g/mol
LogP5.69
Rot. Bonds9

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

N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoroacetamide (PubChem CID 553889) has the molecular formula C19H34F3NO4Si3 and a molecular weight of 481.74 g/mol. Its IUPAC name is N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoroacetamide
PubChem CID553889
Molecular FormulaC19H34F3NO4Si3
Molecular Weight481.74 g/mol
Exact Mass481.17
IUPAC NameN-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoroacetamide
SMILESC[Si](C)(C)Oc1ccc(C(CNC(=O)C(F)(F)F)O[Si](C)(C)C)cc1O[Si](C)(C)C
InChIInChI=1S/C19H34F3NO4Si3/c1-28(2,3)25-15-11-10-14(12-16(15)26-29(4,5)6)17(27-30(7,8)9)13-23-18(24)19(20,21)22/h10-12,17H,13H2,1-9H3,(H,23,24)
InChIKeyCRFVINPEQAEMIM-UHFFFAOYSA-N
XLogP5.69
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.74
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]acetamide
CID 14036516
N-Acetylnorepinephrine
CID 3082321
N-(Trifluoroacetyl)-O,O'-bis(trimethylsilyl) dopamine
CID 553666
N-(Trifluoracetyl)-O,O',O''-tris(trimethylsilyl)epinephrine
CID 553891
N-Trifluoroacetyl-O,O'-bis(trimethylsilyl)-l-dopa, trimethylsilyl ester
CID 622431
N-Trifluoroacetyl-O,O'-bis(trimethylsilyl)metanephrine
CID 626681
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
Noradrenaline, DTFMB-TMS
CID 528735
Adrenaline, N-HFB-O-TMS
CID 6427695
Isonormethanephrine, N-TFA-O-TMS
CID 6427696
Noradrenaline, N-HFB-O-TMS
CID 6427698

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoroacetamide (CID 553889) is N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoroacetamide is C[Si](C)(C)Oc1ccc(C(CNC(=O)C(F)(F)F)O[Si](C)(C)C)cc1O[Si](C)(C)C.
What is the InChIKey of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoroacetamide?
The InChIKey is CRFVINPEQAEMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F3NO4Si3/c1-28(2,3)25-15-11-10-14(12-16(15)26-29(4,5)6)17(27-30(7,8)9)13-23-18(24)19(20,21)22/h10-12,17H,13H2,1-9H3,(H,23,24).
What are the key properties of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoroacetamide?
N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoroacetamide has a molecular weight of 481.74 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 553889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).