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

C21H34F7NO4Si3 — CID 6427698

IUPACN-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESC[Si](C)(C)Oc1ccc(C(CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)C)cc1O[Si](C)(C)C
InChIInChI=1S/C21H34F7NO4Si3/c1-34(2,3)31-15-11-10-14(12-16(15)32-35(4,5)6)17(33-36(7,8)9)13-29-18(30)19(22,23)20(24,25)21(26,27)28/h10-12,17H,13H2,1-9H3,(H,29,30)
InChIKeyFEABORWAPKZVDG-UHFFFAOYSA-N
MW581.75 g/mol
LogP6.96
Rot. Bonds11

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

N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 6427698) has the molecular formula C21H34F7NO4Si3 and a molecular weight of 581.75 g/mol. Its IUPAC name is N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID6427698
Molecular FormulaC21H34F7NO4Si3
Molecular Weight581.75 g/mol
Exact Mass581.17
IUPAC NameN-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESC[Si](C)(C)Oc1ccc(C(CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)C)cc1O[Si](C)(C)C
InChIInChI=1S/C21H34F7NO4Si3/c1-34(2,3)31-15-11-10-14(12-16(15)32-35(4,5)6)17(33-36(7,8)9)13-29-18(30)19(22,23)20(24,25)21(26,27)28/h10-12,17H,13H2,1-9H3,(H,29,30)
InChIKeyFEABORWAPKZVDG-UHFFFAOYSA-N
XLogP6.96
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.75
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', '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)-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
Normethanephrine, N-TFA-O-TMS
CID 6427699
Bamethane, N-TFA-O-TMS
CID 6428500

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,3,3,4,4,4-heptafluorobutanamide (CID 6427698) is N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,3,3,4,4,4-heptafluorobutanamide is C[Si](C)(C)Oc1ccc(C(CNC(=O)C(F)(F)C(F)(F)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]-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is FEABORWAPKZVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34F7NO4Si3/c1-34(2,3)31-15-11-10-14(12-16(15)32-35(4,5)6)17(33-36(7,8)9)13-29-18(30)19(22,23)20(24,25)21(26,27)28/h10-12,17H,13H2,1-9H3,(H,29,30).
What are the key properties of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 581.75 g/mol, XLogP of 6.96, 11 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]-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 6427698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).