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

C22H42F3NO4Si4 — CID 553890

IUPACN-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide
SMILESC[Si](C)(C)Oc1ccc(C(CN(C(=O)C(F)(F)F)[Si](C)(C)C)O[Si](C)(C)C)cc1O[Si](C)(C)C
InChIInChI=1S/C22H42F3NO4Si4/c1-31(2,3)26(21(27)22(23,24)25)16-20(30-34(10,11)12)17-13-14-18(28-32(4,5)6)19(15-17)29-33(7,8)9/h13-15,20H,16H2,1-12H3
InChIKeyJUWADJGDSYFFCZ-UHFFFAOYSA-N
MW553.92 g/mol
LogP7.23
Rot. Bonds10

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

N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide (PubChem CID 553890) has the molecular formula C22H42F3NO4Si4 and a molecular weight of 553.92 g/mol. Its IUPAC name is N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide.

Molecular Properties

Compound NameN-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide
PubChem CID553890
Molecular FormulaC22H42F3NO4Si4
Molecular Weight553.92 g/mol
Exact Mass553.21
IUPAC NameN-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide
SMILESC[Si](C)(C)Oc1ccc(C(CN(C(=O)C(F)(F)F)[Si](C)(C)C)O[Si](C)(C)C)cc1O[Si](C)(C)C
InChIInChI=1S/C22H42F3NO4Si4/c1-31(2,3)26(21(27)22(23,24)25)16-20(30-34(10,11)12)17-13-14-18(28-32(4,5)6)19(15-17)29-33(7,8)9/h13-15,20H,16H2,1-12H3
InChIKeyJUWADJGDSYFFCZ-UHFFFAOYSA-N
XLogP7.23
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.92
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
N-Trifluoroacetyl-O,O'-bis(trimethylsilyl)metanephrine
CID 626681
Adrenaline, N-HFB-O-TMS
CID 6427695
Isonormethanephrine, N-TFA-O-TMS
CID 6427696
N-Methyl-3,4-dihydroxyphenylalanine, N-TFA-O-TMS
CID 6427697
Noradrenaline, N-HFB-O-TMS
CID 6427698
Normethanephrine, N-TFA-O-TMS
CID 6427699
Bamethane, N-TFA-O-TMS
CID 6428500
Corbasil, N-TFA-O-TMS
CID 6428501
Epinine, N-TFA-O-TMS
CID 6428502

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide?
The IUPAC name of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide (CID 553890) is N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide.
What is the SMILES notation for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide?
The canonical SMILES for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide is C[Si](C)(C)Oc1ccc(C(CN(C(=O)C(F)(F)F)[Si](C)(C)C)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-trifluoro-N-trimethylsilylacetamide?
The InChIKey is JUWADJGDSYFFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42F3NO4Si4/c1-31(2,3)26(21(27)22(23,24)25)16-20(30-34(10,11)12)17-13-14-18(28-32(4,5)6)19(15-17)29-33(7,8)9/h13-15,20H,16H2,1-12H3.
What are the key properties of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide?
N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide has a molecular weight of 553.92 g/mol, XLogP of 7.23, 10 rotatable bonds, 0 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-trifluoro-N-trimethylsilylacetamide is sourced from PubChem (CID 553890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).