3,3,3-trifluoro-N-[3-[hydroperoxy-[hydroxy(methyl)silyl]silyloxy-methylsilyl]propyl]-N-phenylpropanamide

C14H24F3NO5Si3 — CID 123770092

IUPAC3,3,3-trifluoro-N-[3-[hydroperoxy-[hydroxy(methyl)silyl]silyloxy-methylsilyl]propyl]-N-phenylpropanamide
SMILESC[SiH](O)[SiH2]O[Si](C)(CCCN(C(=O)CC(F)(F)F)c1ccccc1)OO
InChIInChI=1S/C14H24F3NO5Si3/c1-25(21)24-23-26(2,22-20)10-6-9-18(12-7-4-3-5-8-12)13(19)11-14(15,16)17/h3-5,7-8,20-21,25H,6,9-11,24H2,1-2H3
InChIKeyYFZAICPWKGCVIN-UHFFFAOYSA-N
MW427.60 g/mol
LogP1.87
Rot. Bonds10

About 3,3,3-trifluoro-N-[3-[hydroperoxy-[hydroxy(methyl)silyl]silyloxy-methylsilyl]propyl]-N-phenylpropanamide

3,3,3-trifluoro-N-[3-[hydroperoxy-[hydroxy(methyl)silyl]silyloxy-methylsilyl]propyl]-N-phenylpropanamide (PubChem CID 123770092) has the molecular formula C14H24F3NO5Si3 and a molecular weight of 427.60 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[3-[hydroperoxy-[hydroxy(methyl)silyl]silyloxy-methylsilyl]propyl]-N-phenylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[3-[hydroperoxy-[hydroxy(methyl)silyl]silyloxy-methylsilyl]propyl]-N-phenylpropanamide
PubChem CID123770092
Molecular FormulaC14H24F3NO5Si3
Molecular Weight427.60 g/mol
Exact Mass427.09
IUPAC Name3,3,3-trifluoro-N-[3-[hydroperoxy-[hydroxy(methyl)silyl]silyloxy-methylsilyl]propyl]-N-phenylpropanamide
SMILESC[SiH](O)[SiH2]O[Si](C)(CCCN(C(=O)CC(F)(F)F)c1ccccc1)OO
InChIInChI=1S/C14H24F3NO5Si3/c1-25(21)24-23-26(2,22-20)10-6-9-18(12-7-4-3-5-8-12)13(19)11-14(15,16)17/h3-5,7-8,20-21,25H,6,9-11,24H2,1-2H3
InChIKeyYFZAICPWKGCVIN-UHFFFAOYSA-N
XLogP1.87
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.60
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-N-phenyl-N-(3-trimethoxysilylpropyl)propanamide
CID 59966866
2-[N-(3,3,3-trifluoropropanoyl)anilino]acetic acid
CID 54926550
N-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide
CID 63234191
N-phenyl-N-(3-trimethoxysilylpropyl)carbamoyl fluoride
CID 23561714
3-amino-N-butyl-3-methyl-N-phenylbutanamide
CID 64678131
N-(3-aminopropyl)-N-phenyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205322
N-[3-[ethenyl(dimethyl)silyl]propyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-phenylpropanamide
CID 165154360
N-phenyl-N-(3-phenylpropyl)propanamide
CID 178077722
2,2,2-trifluoroethyl N-butyl-N-phenylcarbamate
CID 64586778
tert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate
CID 19019620
4-[N-(2,2,2-trifluoroethoxycarbonyl)anilino]butanoic acid
CID 61170013
trimethylsilyl N-[3-[dimethyl(propoxy)silyl]propyl]-N-phenylcarbamate
CID 140591284

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[3-[hydroperoxy-[hydroxy(methyl)silyl]silyloxy-methylsilyl]propyl]-N-phenylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-[3-[hydroperoxy-[hydroxy(methyl)silyl]silyloxy-methylsilyl]propyl]-N-phenylpropanamide (CID 123770092) is 3,3,3-trifluoro-N-[3-[hydroperoxy-[hydroxy(methyl)silyl]silyloxy-methylsilyl]propyl]-N-phenylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[3-[hydroperoxy-[hydroxy(methyl)silyl]silyloxy-methylsilyl]propyl]-N-phenylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[3-[hydroperoxy-[hydroxy(methyl)silyl]silyloxy-methylsilyl]propyl]-N-phenylpropanamide is C[SiH](O)[SiH2]O[Si](C)(CCCN(C(=O)CC(F)(F)F)c1ccccc1)OO.
What is the InChIKey of 3,3,3-trifluoro-N-[3-[hydroperoxy-[hydroxy(methyl)silyl]silyloxy-methylsilyl]propyl]-N-phenylpropanamide?
The InChIKey is YFZAICPWKGCVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO5Si3/c1-25(21)24-23-26(2,22-20)10-6-9-18(12-7-4-3-5-8-12)13(19)11-14(15,16)17/h3-5,7-8,20-21,25H,6,9-11,24H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-[3-[hydroperoxy-[hydroxy(methyl)silyl]silyloxy-methylsilyl]propyl]-N-phenylpropanamide?
3,3,3-trifluoro-N-[3-[hydroperoxy-[hydroxy(methyl)silyl]silyloxy-methylsilyl]propyl]-N-phenylpropanamide has a molecular weight of 427.60 g/mol, XLogP of 1.87, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[3-[hydroperoxy-[hydroxy(methyl)silyl]silyloxy-methylsilyl]propyl]-N-phenylpropanamide is sourced from PubChem (CID 123770092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).